Exact Mass: 239.1018348
Exact Mass Matches: 239.1018348
Found 500 metabolites which its exact mass value is equals to given mass value 239.1018348,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clomazone
CONFIDENCE standard compound; INTERNAL_ID 45; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8803; ORIGINAL_PRECURSOR_SCAN_NO 8801 CONFIDENCE standard compound; INTERNAL_ID 45; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8849; ORIGINAL_PRECURSOR_SCAN_NO 8847 CONFIDENCE standard compound; INTERNAL_ID 45; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8896; ORIGINAL_PRECURSOR_SCAN_NO 8895 CONFIDENCE standard compound; INTERNAL_ID 45; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8910; ORIGINAL_PRECURSOR_SCAN_NO 8909 CONFIDENCE standard compound; INTERNAL_ID 45; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8860; ORIGINAL_PRECURSOR_SCAN_NO 8859 CONFIDENCE standard compound; INTERNAL_ID 45; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8907; ORIGINAL_PRECURSOR_SCAN_NO 8906 CONFIDENCE standard compound; EAWAG_UCHEM_ID 139 CONFIDENCE standard compound; INTERNAL_ID 2548 CONFIDENCE standard compound; INTERNAL_ID 4056 CONFIDENCE standard compound; INTERNAL_ID 8432
Bupropion
Bupropion is a selective catecholamine (norepinephrine and dopamine) reuptake inhibitor. It has only a small effect on serotonin reuptake. It does not inhibit MAO. The antidepressant effect of bupropion is considered to be mediated by its dopaminergic and noradrenergic action. Bupropion has also been shown to act as a competitive alpha-3-beta-4- nicotinic antagonist, the alpha-3-beta-4-antagonism has been shown to interrupt addiction in studies of other drugs such as ibogaine. This alpha-3-beta-4-antagonism correlates quite well with the observed effect of interrupting addiction. A unicyclic, aminoketone antidepressant. The mechanism of its therapeutic actions is not well understood, but it does appear to block dopamine uptake. The hydrochloride is available as an aid to smoking cessation treatment; Bupropion is a selective catecholamine (norepinephrine and dopamine) reuptake inhibitor. It has only a small effect on serotonin reuptake. It does not inhibit MAO. The antidepressant effect of bupropion is considered to be mediated by its dopaminergic and noradrenergic action. Bupropion has also been shown to act as a competitive alpha-3-beta-4-nicotinic antagonist, the alpha-3-beta-4-antagonism has been shown to interrupt addiction in studies of other drugs such as ibogaine. This alpha-3-beta-4-antagonism correlates quite well with the observed effect of interrupting addiction. Bupropion (amfebutamone) (brand names Wellbutrin and Zyban) is an antidepressant of the aminoketone class, chemically unrelated to tricyclics or selective serotonin reuptake inhibitors (SSRIs). It is similar in structure to the stimulant cathinone, and to phenethylamines in general. It is a chemical derivative of diethylpropion, an amphetamine-like substance used as an anorectic. Bupropion is both a dopamine reuptake inhibitor and a norepinephrine reuptake inhibitor. It is often used as a smoking cessation aid. CONFIDENCE standard compound; INTERNAL_ID 1321; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7029; ORIGINAL_PRECURSOR_SCAN_NO 7027 CONFIDENCE standard compound; INTERNAL_ID 1321; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7025; ORIGINAL_PRECURSOR_SCAN_NO 7023 CONFIDENCE standard compound; INTERNAL_ID 1321; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7006; ORIGINAL_PRECURSOR_SCAN_NO 7004 CONFIDENCE standard compound; INTERNAL_ID 1321; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7034; ORIGINAL_PRECURSOR_SCAN_NO 7030 CONFIDENCE standard compound; INTERNAL_ID 1321; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6997; ORIGINAL_PRECURSOR_SCAN_NO 6995 CONFIDENCE standard compound; INTERNAL_ID 1321; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7027; ORIGINAL_PRECURSOR_SCAN_NO 7025 D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents CONFIDENCE standard compound; INTERNAL_ID 2703 CONFIDENCE standard compound; INTERNAL_ID 8596 D049990 - Membrane Transport Modulators D000077444 - Smoking Cessation Agents
Dihydrobiopterin
Dihydrobiopterin, also known as BH2, 7,8-dihydrobiopterin, L-erythro-7,8-dihydrobiopterin, quinonoid dihydrobiopterin or q-BH2, belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. Dihydrobiopterin is also classified as a pteridine. Pteridines are aromatic compounds composed of fused pyrimidine and pyrazine rings. Dihydrobiopterin is produced during the synthesis of neurotransmitters L-DOPA, dopamine, norepinephrine and epinephrine. It is restored to the required cofactor tetrahydrobiopterin via the NADPH-dependant reduction of dihydrobiopterin reductase. Dihydrobiopterin can also be converted to tetrahydrobiopterin by nitric oxide synthase (NOS) which is catalyzed by the flavoprotein "diaphorase" activity of NOS. This activity is located on the reductase (C-terminal) domain of NOS, whereas the high affinity tetrahydrobiopterin site involved in NOS activation is located on the oxygenase (N-terminal) domain (PMID: 8626754). Sepiapterin reductase (SPR) is another enzyme that plays a role in the production of dihydrobiopterin. SPR catalyzes the reduction of sepiapterin to dihydrobiopterin (BH2), the precursor for tetrahydrobiopterin (BH4). BH4 is a cofactor critical for nitric oxide biosynthesis and alkylglycerol and aromatic amino acid metabolism (PMID: 25550200). Dihydrobiopterin is known to be synthesized in several parts of the body, including the pineal gland. Dihydrobiopterin exists in all eukaryotes, ranging from yeast to humans. In humans, dihydrobiopterin is involved in several metabolic disorders including dihydropteridine reductase (DHPR) deficiency. DHPR deficiency is a severe form of hyperphenylalaninemia (HPA) due to impaired regeneration of tetrahydrobiopterin (BH4) leading to decreased levels of neurotransmitters (dopamine, serotonin) and folate in cerebrospinal fluid, and causing neurological symptoms such as psychomotor delay, hypotonia, seizures, abnormal movements, hypersalivation, and swallowing difficulties. Dihydrobiopterin is also associated with another metabolic disorder known as sepiapterin reductase deficiency (SRD). Sepiapterin reductase catalyzes the (NADP-dependent) reduction of carbonyl derivatives, including pteridines, and plays an important role in tetrahydrobiopterin biosynthesis. Low dihydrofolate reductase activity in the brain leads to the accumulation of dihydrobiopterin, which in turn, inhibits tyrosine and tryptophan hydroxylases. This uncouples neuronal nitric oxide synthase, leading to neurotransmitter deficiencies and neuronal cell death. SRD is characterized by low cerebrospinal fluid neurotransmitter levels and the presence of elevated cerebrospinal fluid dihydrobiopterin. SRD is characterized by motor delay, axial hypotonia, language delay, diurnal fluctuation of symptoms, dystonia, weakness, oculogyric crises, dysarthria, parkinsonian signs and hyperreflexia. Dihydrobiopterin (BH2) is an oxidation product of tetrahydrobiopterin. Tetrahydrobiopterin is a natural occurring cofactor of the aromatic amino acid hydroxylase and is involved in the synthesis of tyrosine and the neurotransmitters dopamine and serotonin. Tetrahydrobiopterin is also essential for nitric oxide synthase catalyzed oxidation of L-arginine to L-citrulline and nitric oxide. [HMDB] 7,8-Dihydro-L-biopterin is an oxidation product of tetrahydrobiopterin.
Albendazole-2-aminosulfone
C10H13N3O2S (239.07284380000002)
4a-Carbinolamine tetrahydrobiopterin
Carbinolamine 4a-hydroxytetrahydrobiopterin is formed as a consequence of the hydroxylation of phenylalanine to tyrosine. During the physiological reaction tetrahydrobiopterin (the naturally occurring cofactor for phenylalanine hydroxylase), and the two substrates phenylalanine and molecular oxygen combine with phenylalanine hydroxylase to form a quarternary complex. An enzyme, 4a-carbinolamine dehydratase, catalyzes the reaction. (PMID: 2722790) [HMDB] Carbinolamine 4a-hydroxytetrahydrobiopterin is formed as a consequence of the hydroxylation of phenylalanine to tyrosine. During the physiological reaction tetrahydrobiopterin (the naturally occurring cofactor for phenylalanine hydroxylase), and the two substrates phenylalanine and molecular oxygen combine with phenylalanine hydroxylase to form a quarternary complex. An enzyme, 4a-carbinolamine dehydratase, catalyzes the reaction. (PMID: 2722790). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-Lactoyltetrahydropterin
6-Lactoyltetrahydropterin is a putative intermediate in the de novo synthesis of tetrahydrobiopterin (BH4) pathway, in a reaction involving the enzyme sepiapterin reductase (E.C. 1.1.1.153) in human liver. In brain, an enzyme distinct from sepiapterin reductase catalyzes the TPNH-dependent reduction of 6-pyruvoyl-tetrahydropterin to 6-lactoyl-tetrahydropterin. (PMID: 4004850). In brain, the expression of other enzymes involved in BH4 biosynthesis includes aldose reductase, carbonyl reductase, GTP-cyclohydrolase I, and 6-pyruvoyltetrahydrobiopterin. Sepiapterin reductase expression is increased in Parkinsons disease brain tissue. (PMID: 17270157). 6-Lactoyltetrahydropterin is a putative intermediate in the de novo synthesis of tetrahydrobiopterin (BH4) pathway, in a reaction involving the enzyme sepiapterin reductase (E.C. 1.1.1.153) in human liver. In brain, an enzyme distinct from sepiapterin reductase catalyzes the TPNH-dependent reduction of 6-pyruvoyl-tetrahydropterin to 6-lactoyl-tetrahydropterin. (PMID: 4004850)
5-Hydroxy-2-acetamidofluorene
C15H13NO2 (239.09462380000002)
1-hydroxy-2-Oxopropyl tetrahydropterin
1-hydroxy-2-Oxopropyl tetrahydropterin, an intermediate formed from 6-Pyrovoyl-Tetrahydropterin in the biosynthetic pathway of tetrahydrobiopterin [PMID: 19234759]. [HMDB] 1-hydroxy-2-Oxopropyl tetrahydropterin, an intermediate formed from 6-Pyrovoyl-Tetrahydropterin in the biosynthetic pathway of tetrahydrobiopterin [PMID: 19234759].
Diphenamid
CONFIDENCE standard compound; INTERNAL_ID 703; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8751; ORIGINAL_PRECURSOR_SCAN_NO 8750 CONFIDENCE standard compound; INTERNAL_ID 703; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8710; ORIGINAL_PRECURSOR_SCAN_NO 8709 CONFIDENCE standard compound; INTERNAL_ID 703; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8658; ORIGINAL_PRECURSOR_SCAN_NO 8657 CONFIDENCE standard compound; INTERNAL_ID 703; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8694; ORIGINAL_PRECURSOR_SCAN_NO 8693 CONFIDENCE standard compound; INTERNAL_ID 703; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8746; ORIGINAL_PRECURSOR_SCAN_NO 8745 CONFIDENCE standard compound; INTERNAL_ID 703; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8760; ORIGINAL_PRECURSOR_SCAN_NO 8759
2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide
2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide is found in herbs and spices. 2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide is isolated from Achillea millefolium (yarrow). Isolated from Achillea millefolium (yarrow). 2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide is found in herbs and spices.
O2'-4a-cyclic-tetrahydrobiopterin
O2-4a-cyclic-tetrahydrobiopterin is a novel pterin intermediate, in addition to the expected 4a-hydroxytetrahydrobiopterin (4a-OH-BH4) and quinonoid dihydrobiopterin generated during catalytic turnover of tyrosine hydroxylase (TH) with tetrahydrobiopterin as the cofactor. Its conversion into quinonoid dihydrobiopterin is catalysed by pterin-4a-carbinolamine dehydratase.
N-Gluconyl ethanolamine
N-Gluconyl ethanolamine is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
N-Ornithyl-L-taurine
Proposed salt substitute especially for soy sauce. The originally-claimed saltiness at this compound was disputed, but has subsequently been confirmed. Proposed salt substitute especies for soy sauce. The originally-claimed saltiness at this compound was disputed, but has subsequently been confirmed.
S-Phenylmercapturic acid
S-phenylmercapturic acid belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.
9-Carboxymethoxymethylguanine
9-Carboxymethoxymethylguanine is a metabolite of aciclovir. Aciclovir or acyclovir, chemical name acycloguanosine, abbreviated as ACV, is a guanosine analogue antiviral drug, marketed under trade names such as Cyclovir, Herpex, Acivir, Acivirax, Zovirax, and Xovir. One of the most commonly used antiviral drugs, it is primarily used for the treatment of herpes simplex virus infections, as well as in the treatment of varicella zoster (chickenpox) and herpes zoster (shingles). (Wikipedia)
1,3-Di-o-tolylguanidine
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2,3-Bis(4-hydroxyphenyl)propionitrile
C15H13NO2 (239.09462380000002)
2'-Deoxy-2'-methylenecytidine
D-Erythro-7,8-dihydrobiopterin
3-(Imidazol-1-ylmethyl)-2-propan-2-yl-1H-indole
Cyclopentenyl cytosine
Eldoral
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Emorfazone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Methyldopate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
bupropion
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2803 D049990 - Membrane Transport Modulators D000077444 - Smoking Cessation Agents
Ditolylguanidine
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3-benzylidene-4-(1(3)H-imidazol-4-yl)-pyrrolidin-2-one|Noranantin
1-formyl-3-methoxy-6-methylcarbazole
C15H13NO2 (239.09462380000002)
2-acetamido-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
(7aR)-1t-Acetoxy-7-acetoxymethyl-(7ar)-2,3,5,7a-tetrahydro-1H-pyrrolizin|7,9-di-O-acetylretronecine|Diacetat von Retronecin
Xanthiazone
Xanthiazone is a natural product found in Xanthium strumarium with data available.
2,3-bis (4-Hydroxyphenyl) Propionitrile
C15H13NO2 (239.09462380000002)
2-(3-Methyl-5-oxo-2,5-dihydro-furan-2-ylmethyl)-quinoline
C15H13NO2 (239.09462380000002)
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide
C11H13NO5_1H-Pyrrole-3-propanoic acid, 5-acetyl-4-(carboxymethyl)
C12H17NO4_1,3-Dioxolo[4,5-c]pyridin-4(5H)-one, 2-(1-hydroxy-3-methylbutyl)-6-methyl
dihydrobiopterin
7,8-Dihydro-L-biopterin is an oxidation product of tetrahydrobiopterin.
bupropion
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators D000077444 - Smoking Cessation Agents Bupropion is a selective catecholamine (norepinephrine and dopamine) reuptake inhibitor. It has only a small effect on serotonin reuptake. It does not inhibit MAO. The antidepressant effect of bupropion is considered to be mediated by its dopaminergic and noradrenergic action. Bupropion has also been shown to act as a competitive alpha-3-beta-4- nicotinic antagonist, the alpha-3-beta-4-antagonism has been shown to interrupt addiction in studies of other drugs such as ibogaine. This alpha-3-beta-4-antagonism correlates quite well with the observed effect of interrupting addiction.; A unicyclic, aminoketone antidepressant. The mechanism of its therapeutic actions is not well understood, but it does appear to block dopamine uptake. The hydrochloride is available as an aid to smoking cessation treatment; Bupropion is a selective catecholamine (norepinephrine and dopamine) reuptake inhibitor. It has only a small effect on serotonin reuptake. It does not inhibit MAO. The antidepressant effect of bupropion is considered to be mediated by its dopaminergic and noradrenergic action. Bupropion has also been shown to act as a competitive alpha-3-beta-4-nicotinic antagonist, the alpha-3-beta-4-antagonism has been shown to interrupt addiction in studies of other drugs such as ibogaine. This alpha-3-beta-4-antagonism correlates quite well with the observed effect of interrupting addiction. Bupropion (amfebutamone) (brand names Wellbutrin and Zyban) is an antidepressant of the aminoketone class, chemically unrelated to tricyclics or selective serotonin reuptake inhibitors (SSRIs). It is similar in structure to the stimulant cathinone, and to phenethylamines in general. It is a chemical derivative of diethylpropion, an amphetamine-like substance used as an anorectic. Bupropion is both a dopamine reuptake inhibitor and a norepinephrine reuptake inhibitor. It is often used as a smoking cessation aid. [HMDB]. Bupropion is found in many foods, some of which are cardoon, mung bean, salmonberry, and climbing bean.
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide [IIN-based on: CCMSLIB00000848500]
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide [IIN-based: Match]
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide_major
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide_63.7\\%
Mebendazole metabolite (1H-Benzimidazole-5-methanol, 2-amino-a-phenyl-)
Methyldopate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Methyldopate is an ethyl ester proagent of α-Methyldopa (α-MD; HY-B0225). Methyldopa (L-(-)-α-Methyldopa) is an α-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopate has the potential for severe hypertension research [1].
2,3-bis(4-hydroxyphenyl)propionitrile
C15H13NO2 (239.09462380000002)
7,8-Dihydro-L-biopterin
7,8-Dihydro-L-biopterin is an oxidation product of tetrahydrobiopterin.
Acyclovir (8-hydroxy-9-(2-hydroxythoxymethyl)guanine
Ketamine metabolite (Cyclohexanone, 2-amino-2-(2-chlorophenyl)-6-hydroxy-)
Ketamine metabolite (Cyclohexanone, 2-amino-2-(2-chlorophenyl)-5-hydroxy-)
2,4-Undecadiene-8,10-diynoic acid 2,3-dehydropiperidide
N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]cyclopropanamine
2-(1-TRIFLUOROMETHYL-2-NITROETHYL)CYCLOHEXANONE
C9H12F3NO3 (239.07692379999997)
n-(3,4-methylenedioxybenzylidene)benzyl&
C15H13NO2 (239.09462380000002)
(2S,4S)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2λ6-thia-3-azacyclopent-2-ene 2-oxide
C12H17NO2S (239.09799420000002)
spiro[1H-pyrrolo[2,3-b]pyridine-3,4-piperidine]-2-one,hydrochloride
(2S,4S)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid
4-(3-(Methylsulfonyl)phenyl)piperidine
C12H17NO2S (239.09799420000002)
3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
Benzenepropanamide, b-oxo-N-phenyl-
C15H13NO2 (239.09462380000002)
ethyl 4-(aminocarbamothioylamino)benzoate
C10H13N3O2S (239.07284380000002)
4-Methylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
1-(6,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)prop-2-ylamine
Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (1:1)
1-(2-thienylcarbonyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
5-cyclohexylpyridine-2-carboximidamide,hydrochloride
Benzamide,N-(2-oxo-2-phenylethyl)-
C15H13NO2 (239.09462380000002)
3-(Diethylcarbamoyl)-2-fluorophenylboronic acid
C11H15BFNO3 (239.11289620000002)
4-(HYDROXY(4-METHOXYPHENYL)METHYL)BENZONITRILE
C15H13NO2 (239.09462380000002)
2H-SPIRO[BENZOFURAN-3,4-PIPERIDIN]-2-ONE HYDROCHLORIDE
(9-Methyl-9H-carbazol-3-yl)acetic acid
C15H13NO2 (239.09462380000002)
2-Butenenitrile, 2-hydroxy-3-(6-methoxy-2-naphthalenyl)-
C15H13NO2 (239.09462380000002)
methyl 2-(benzylideneamino)benzoate
C15H13NO2 (239.09462380000002)
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C12H17NO2S (239.09799420000002)
4-Ethoxycarbonyl-2-nitrophenylboronic acid
C9H10BNO6 (239.06011500000002)
1H-Pyrrole-3-propanoic acid, 5- (ethoxycarbonyl)-2,4-dimethyl-
(9-Ethyl-9H-carbazol-3-yl)boronic acid
C14H14BNO2 (239.11175340000003)
2-(AMINOMETHYL)-N1,N1-DIMETHYLPROPANE-1,3-DIAMINE TRIHYDROCHLORIDE
C6H20Cl3N3 (239.07227300000002)
tert-butyl 3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
5-Methylspiro[1,3-dihydroisobenzofuran-3,4-piperidine] hydrochloride
N-(2-Aminoethyl)-2-[5-(3-phenoxyphenyl)-2H-tetrazol-2-yl]acetamide
4-benzyl-2-(chloromethyl)-1,4-oxazepane(SALTDATA: FREE)
(2S)-2-Amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid
2-methoxy-6-phenylmethoxybenzonitrile
C15H13NO2 (239.09462380000002)
ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylate
C12H17NO2S (239.09799420000002)
(4-(Butylcarbamoyl)-3-fluorophenyl)boronic acid
C11H15BFNO3 (239.11289620000002)
[3-(Diethylcarbamoyl)-4-fluorophenyl]boronic acid
C11H15BFNO3 (239.11289620000002)
(4-(tert-Butylcarbamoyl)-3-fluorophenyl)boronic acid
C11H15BFNO3 (239.11289620000002)
[3-(Diethylcarbamoyl)-5-fluorophenyl]boronic acid
C11H15BFNO3 (239.11289620000002)
4-[(5-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]pyridine
3-(Trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole
C13H12F3N (239.09217879999997)
(4S,5R)-CIS-4,5-DIPHENYLOXAZOLIDIN-2-ONE
C15H13NO2 (239.09462380000002)
TERT-BUTYL ((4-HYDROXY-6-METHYLPYRIMIDIN-2-YL)METHYL)CARBAMATE
3-cyclopropyl-N-methoxyindeno[1,2-c]pyrazol-4-amine
(E)-N-(2-Chloro-6-methylphenyl)-3-ethoxyacrylamide
(3-(TERT-BUTYLCARBAMOYL)-4-FLUOROPHENYL)BORONIC ACID
C11H15BFNO3 (239.11289620000002)
(5-(tert-Butylcarbamoyl)-2-fluorophenyl)boronic acid
C11H15BFNO3 (239.11289620000002)
(5-(Diethylcarbamoyl)-2-fluorophenyl)boronic acid
C11H15BFNO3 (239.11289620000002)
(5-(BUTYLCARBAMOYL)-2-FLUOROPHENYL)BORONIC ACID
C11H15BFNO3 (239.11289620000002)
[4-(Diethylcarbamoyl)-3-fluorophenyl]boronic acid
C11H15BFNO3 (239.11289620000002)
(5-fluoro-2-(Morpholinomethyl)phenyl)boronic acid
C11H15BFNO3 (239.11289620000002)
2-(4-METHOXY-PHENYL)-THIAZOLIDINE-4-CARBOXYLIC ACID
6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine
3-(1,3-dihydro-isoindol-2-yl)-benzoic acid
C15H13NO2 (239.09462380000002)
3H-SPIRO[ISOBENZOFURAN-1,4-PIPERIDIN]-3-ONE HYDROCHLORIDE
3-AMINO-3-(4-METHOXY-BENZO[1,3]DIOXOL-6-YL)-PROPIONIC ACID
1-(4-METHOXY)PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
ethyl 2-methylprop-2-enoate,prop-2-enenitrile,prop-2-enoic acid
1H-Benzimidazole-7-carboxylic acid, 2-(3-pyridinyl)-
propyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C12H17NO2S (239.09799420000002)
2-PYRIDIN-4-YL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
3-[3-amino-4-(2-methoxyethoxy)phenyl]propanoic acid
(3-ETHOXYCARBONYL-5-NITROPHENYL)BORONIC ACID
C9H10BNO6 (239.06011500000002)
(4R,5S)-CIS-4,5-DIPHENYLOXAZOLIDIN-2-ONE
C15H13NO2 (239.09462380000002)
4-BENZYLOXY-3-METHOXY-BENZONITRILE
C15H13NO2 (239.09462380000002)
2-(2-METHOXYPHENYL)-5-METHYLBENZO[D]OXAZOLE
C15H13NO2 (239.09462380000002)
1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
1-(3-CHLORO-PHENYLAMINO)-CYCLOPENTANECARBOXYLIC ACID
1H-Benzimidazole-7-carboxylic acid, 2-(2-pyridinyl)-
2-AMINO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]-THIOPHENE-3-CARBOXYLICACIDMETHYLESTER
C12H17NO2S (239.09799420000002)
2-pyridin-4-yl-3h-benzoimidazole-5-carboxylic acid
1-METHYL-2-PYRIDIN-3-YL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL
6-phenylmethoxy-1,3-dihydroindol-2-one
C15H13NO2 (239.09462380000002)
(2R,4R)-(+)-4-ISOPROPYL-2-P-TOLUENE-4,5-DIHYDRO-(1,2LAMBDA6,3)-OXATHIAZOLE 2-OXIDE
C12H17NO2S (239.09799420000002)
diethyl (n-methoxy-n-methylcarbamoylmethyl)phosphonate
2-FLUORO-5-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)BENZOIC ACID
BENZENEACETIC ACID, 4-METHOXY-2-NITRO-, ETHYL ESTER
N-METHYL-3-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)ANILINE
(3-CHLOROQUINOXALIN-2-YL)(PHENYLSULFONYL)ACETONITRILE
Diethyl 4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate
2-amino-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
ethyl 2-cyclohexyl-1,3-thiazole-4-carboxylate
C12H17NO2S (239.09799420000002)
1-[2-AMINO-4-METHOXY-5-(2-METHOXYETHOXY)PHENYL]-ETHANONE
Benzenamine,N,N-dimethyl-4-[2-(2-methylphenyl)diazenyl]-
ETHYL 3-(4-AMINO-2-(METHYLTHIO)PYRIMIDIN-5-YL)ACRYLATE
C10H13N3O2S (239.07284380000002)
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
[2-[(tert-Butoxycarbonyl)amino]pyrimidin-5-yl]boronic acid
2-amino-3-benzylsulfanyl-3-methyl-butanoic acid
C12H17NO2S (239.09799420000002)
3-AMINO-3-(3-ETHOXY-4-METHOXY-PHENYL)-PROPIONIC ACID
(R)-2-AMINO-4-PENTYNOICACIDT-BUTYLESTER
C13H18FNO2 (239.13215000000002)
(S)-(+)-4-(2,3-Epoxypropoxy)carbazole
C15H13NO2 (239.09462380000002)
(R)-(-)-4-(2,3-EPOXYPROPOXY)CARBAZOLE
C15H13NO2 (239.09462380000002)
2-[bis(2-hydroxyethyl)amino]ethanol,2-hydroxypropanoic acid
1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-ethanamine hydrochloride
SULFURIC ACID COMPOUND WITH 3-METHYLPIPERIDINE-1-CARBOXIMIDAMIDE (1:1)
methyl 4-(3-chlorophenyl)pyrrolidine-3-carboxylate
methyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)aniline
3-Amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
C10H13N3O2S (239.07284380000002)
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid
Benzenemethanamine,N-cyclohexyl-a-methyl-,hydrochloride (1:1)
(2S,4R)-4-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid
6-(4-METHOXY-PHENYL)-1,3-DIHYDRO-INDOL-2-ONE
C15H13NO2 (239.09462380000002)
2,2-DIPHENYLETHYL ISOTHIOCYANATE
SF5 (2,2-Diphenylethyl isothiocyanate) is a sulforaphane analog. SF5 inhibits apoptosis by the JNK-p53-caspase pathway. SF5 can be used as a new renal protective agent for drug-resistant acute renal disease[1].
3,4-METHYLENEDIOXYBENZYLIDINEBENZYLAMINE
C15H13NO2 (239.09462380000002)
(S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine hydrochloride
2-diazonio-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethenolate
6-(3-methoxyphenyl)-1,3-dihydroindol-2-one
C15H13NO2 (239.09462380000002)
tert-Butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
C12H17NO2S (239.09799420000002)
1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile
2-(tert-Butylamino)-3’, 4’-Dichloropropiophonone HCl
2-chloro-4-(cyclopentylamino)-5-pyrimidinyl ethanone
3-(Trifluoromethyl)benzenepropanamine hydrochloride
C10H12F3N.HCl (239.06885640000002)
(2S,4R)-4-(4-chlorobenzyl)pyrrolidine-2-carboxylic acid
3-(4-Methanesulfonyl-phenyl)-piperidine
C12H17NO2S (239.09799420000002)
2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Aziridine,2-(1-Methylethyl)-1-[(4-Methylphenyl)sulfonyl]-, (2S)-
C12H17NO2S (239.09799420000002)
Trans-Methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate-HCl
3-fluoro-4-(Morpholinomethyl)phenylboronic acid
C11H15BFNO3 (239.11289620000002)
3-(3-(Methylsulfonyl)phenyl)piperidine
C12H17NO2S (239.09799420000002)
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrole
C13H12F3N (239.09217879999997)
tert-butyl (2R)-2-(2-diazoacetyl)pyrrolidine-1-carboxylate
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-THIAZOLE
C11H18BNO2S (239.11512380000002)
(S)-2-(tert-Butoxycarbonylamino)-4,4-difluorobutanoic acid
4-(4-METHANESULFONYL-PHENYL)-PIPERIDINE
C12H17NO2S (239.09799420000002)
(3-(Butylcarbamoyl)-4-fluorophenyl)boronic acid
C11H15BFNO3 (239.11289620000002)
ETHYL 2-AMINO-7-OXO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
(R)-1-(1H-Benzimidazol-2-yl)-3-methylbutylamine Hydrochloride
9-Carboxymethoxymethylguanine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
9-(3,4-Dihydroxybutyl)guanine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
2-Amino-3-phenylmethoxybutanedioic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
DMDC
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
N-(3-Hydroxy-2-fluorenyl)acetamide
C15H13NO2 (239.09462380000002)
Benzoic acid, 2-[(carboxymethyl)methylamino]-5-methoxy-
5-Methoxy-2-(4-methoxyphenyl)benzonitrile
C15H13NO2 (239.09462380000002)
6-(2-Formyl-5-hydroxymethyl-pyrrol-1-yl)-caproic acid
Benzeneethanamine, 2-methoxy-4-[(trimethylsilyl)oxy]-
Ethyl 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-oxobutanoate
4-(1,3-Benzoxazol-2-Yl)-2,6-Dimethylphenol
C15H13NO2 (239.09462380000002)
N1-Cyclopentyl-N2-(thiazol-2-YL)oxalamide
C10H13N3O2S (239.07284380000002)
3-Methyl-N-(Pyridin-4-Ylmethyl)imidazo[1,2-A]pyrazin-8-Amine
2-(3-Guanidinophenyl)-3-mercaptopropanoic acid
C10H13N3O2S (239.07284380000002)
Emorfazone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoate
An oxo monocarboxylic acid anion that is the conjugate base of 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Acridin Red
C15H15N2O+ (239.11843199999998)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
N-Acetyl-S-phenyl-L-cysteine
The S-phenyl derivative of N-acetyl-L-cysteine. It is a urinary metabolite of benzene and used as a biomarker to assess benzene exposure.
3-Carboxy-4-methyl-5-propyl-2-furanpropanoate
A dicarboxylic acid monoanion that is the conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid.
5-[3-(2,5-dimethyl-1-pyrrolyl)phenyl]-2H-tetrazole
3-[5-acetyl-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
2-[(4-Methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
(6R)-6-lactoyl-5,6,7,8-tetrahydropterin
A 6-lactoyl-5,6,7,8-tetrahydropterin in which the stereocentre at position 6 has R-configuration.
(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterin
2-amino-6-(2-hydroxypropanoyl)-4a,7,8,8a-tetrahydro-3H-pteridin-4-one
(2S)-2-amino-N-[(Z)-(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]propanehydrazide;hydrochloride
2-amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-1H-pteridin-4-one
4-methyl-5-(quinolin-2-ylmethyl)furan-2(5H)-one
C15H13NO2 (239.09462380000002)
2-Nitrophenethyl alcohol, TMS derivative
C11H17NO3Si (239.09776520000003)
3a,4-Dihydro-2-(4-methylphenyl)-2H-isoindole-1,3-dione
C15H13NO2 (239.09462380000002)
6,7-Dihydrobiopterin
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(6R)-D-erythro-6,7-dihydrobiopterin
A 6,7-dihydrobiopterin that has R configuration at position 6 and in which the 1,2-dihydroxypropyl substituent has 1S,2R configuration.
(6R)-L-erythro-6,7-dihydrobiopterin
A 6,7-dihydrobiopterin that has R configuration at position 6 and in which the 1,2-dihydroxypropyl substituent has 1R,2S configuration.
Acetyl-L-carnitine (hydrochloride)
Acetyl-L-carnitine (O-Acetyl-L-carnitine) hydrochloride is a blood-brain permeable acetyl ester of the amino acid L-carnitine found in the body. Acetyl-L-carnitine hydrochloride is often used as a dietary supplement, and exibits anti-stress-related psychiatric disorders[1].
1-[(4s)-4-amino-4-carboxybutyl]-4-(c-hydroxycarbonimidoyl)pyridazin-1-ium
1-(4-amino-4-carboxybutyl)-4-(c-hydroxycarbonimidoyl)pyridazin-1-ium
n-[2-(dimethylamino)-4-methoxy-6-(methylamino)pyrimidin-5-yl]-n-methylformamide
2-{[hydroxy(5-imino-4-methylidenepyrrolidin-2-yl)methylidene]amino}-3-methylbutanoic acid
(6e)-7-methyl-6-[(5-methylfuran-2-yl)methylidene]-7h-cyclopenta[c]pyridin-5-one
C15H13NO2 (239.09462380000002)