Exact Mass: 241.1341
Exact Mass Matches: 241.1341
Found 500 metabolites which its exact mass value is equals to given mass value 241.1341,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Prometryn
CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8564; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8550; ORIGINAL_PRECURSOR_SCAN_NO 8549 CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8580; ORIGINAL_PRECURSOR_SCAN_NO 8577 CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8544; ORIGINAL_PRECURSOR_SCAN_NO 8542 CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8540; ORIGINAL_PRECURSOR_SCAN_NO 8538 CONFIDENCE standard compound; INTERNAL_ID 861; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8686; ORIGINAL_PRECURSOR_SCAN_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 4037 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Terbutryn
CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8639; ORIGINAL_PRECURSOR_SCAN_NO 8638 CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8575; ORIGINAL_PRECURSOR_SCAN_NO 8573 CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8603; ORIGINAL_PRECURSOR_SCAN_NO 8600 CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8657; ORIGINAL_PRECURSOR_SCAN_NO 8652 CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8686; ORIGINAL_PRECURSOR_SCAN_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 47; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8611; ORIGINAL_PRECURSOR_SCAN_NO 8609 CONFIDENCE standard compound; INTERNAL_ID 2863 CONFIDENCE standard compound; INTERNAL_ID 8794 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Tetrahydrobiopterin
Tetrahydrobiopterin (CAS: 17528-72-2), also known as BH4, is an essential cofactor in the synthesis of neurotransmitters and nitric oxide (PMID: 16946131). In fact, it is used by all three human nitric-oxide synthases (NOS) eNOS, nNOS, and iNOS as well as the enzyme glyceryl-ether monooxygenase. It is also essential in the conversion of phenylalanine into tyrosine by the enzyme phenylalanine-4-hydroxylase; the conversion of tyrosine into L-dopa by the enzyme tyrosine hydroxylase; and the conversion of tryptophan into 5-hydroxytryptophan via tryptophan hydroxylase. Specifically, tetrahydrobiopterin is a cofactor for tryptophan 5-hydroxylase 1, tyrosine 3-monooxygenase, and phenylalanine hydroxylase, all of which are essential for the formation of the neurotransmitters dopamine, noradrenaline, and adrenaline. Tetrahydrobiopterin has been proposed to be involved in the promotion of neurotransmitter release in the brain and the regulation of human melanogenesis. A defect in BH4 production and/or a defect in the enzyme dihydropteridine reductase (DHPR) causes phenylketonuria type IV, as well as dopa-responsive dystonias. BH4 is also implicated in Parkinsons disease, Alzheimers disease, and depression. Tetrahydrobiopterin is present in probably every cell or tissue of higher animals. On the other hand, most bacteria, fungi and plants do not synthesize tetrahydrobiopterin (Wikipedia). A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C26170 - Protective Agent > C275 - Antioxidant Tetrahydrobiopterin ((Rac)-Sapropterin) is a cofactor of the aromatic amino acid hydroxylases enzymes and also acts as an essential cofactor for all nitric oxide synthase (NOS) isoforms.
Mefenamic acid
Mefenamic acid is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase. [PubChem]Mefenamic acid binds the prostaglandin synthetase receptors COX-1 and COX-2, inhibiting the action of prostaglandin synthetase. As these receptors have a role as a major mediator of inflammation and/or a role for prostanoid signaling in activity-dependent plasticity, the symptoms of pain are temporarily reduced. CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10159; ORIGINAL_PRECURSOR_SCAN_NO 10158 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10220; ORIGINAL_PRECURSOR_SCAN_NO 10219 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10207; ORIGINAL_PRECURSOR_SCAN_NO 10204 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10231; ORIGINAL_PRECURSOR_SCAN_NO 10228 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10194; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10244; ORIGINAL_PRECURSOR_SCAN_NO 10242 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5516; ORIGINAL_PRECURSOR_SCAN_NO 5514 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5591; ORIGINAL_PRECURSOR_SCAN_NO 5590 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5509; ORIGINAL_PRECURSOR_SCAN_NO 5507 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5490; ORIGINAL_PRECURSOR_SCAN_NO 5489 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5522; ORIGINAL_PRECURSOR_SCAN_NO 5520 CONFIDENCE standard compound; INTERNAL_ID 327; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5497; ORIGINAL_PRECURSOR_SCAN_NO 5493 M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 208 EAWAG_UCHEM_ID 208; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1151 CONFIDENCE standard compound; INTERNAL_ID 2351 CONFIDENCE standard compound; INTERNAL_ID 8570 CONFIDENCE standard compound; INTERNAL_ID 4094 D000893 - Anti-Inflammatory Agents KEIO_ID M089; [MS2] KO009073 D004791 - Enzyme Inhibitors KEIO_ID M089
5-Methyldeoxycytidine
5-Methyldeoxycytidine is a dinucleotide. Methylation of cytosine-guanine dinucleotide sequences (CpG dinucleotides) catalyzed by DNA methyltransferase, particularly in the 5′-promoter regions of mammalian genes, forms 5-methyldeoxycytidine (5-mdc) whose levels may regulate gene expression. Levels of 5-mdc and the expression of nm23-H1 (an anti-metastatic gene identified in and human cancer lines) are highly correlated with human hepatoma cells with different invasion activities. DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. The levels of 5-mdc in the urine of patients with breast cancer is not significantly different than controls. (PMID: 17044778, 17264127, 16799933) [HMDB] 5-Methyldeoxycytidine is a dinucleotide. Methylation of cytosine-guanine dinucleotide sequences (CpG dinucleotides) catalyzed by DNA methyltransferase, particularly in the 5′-promoter regions of mammalian genes, forms 5-methyldeoxycytidine (5-mdc) whose levels may regulate gene expression. Levels of 5-mdc and the expression of nm23-H1 (an anti-metastatic gene identified in and human cancer lines) are highly correlated with human hepatoma cells with different invasion activities. DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. The levels of 5-mdc in the urine of patients with breast cancer is not significantly different than controls. (PMID: 17044778, 17264127, 16799933). 5-Methyl-2'-deoxycytidine in single-stranded DNA can act in cis to signal de novo DNA methylation[1][2]. 5-Methyl-2'-deoxycytidine in single-stranded DNA can act in cis to signal de novo DNA methylation[1][2].
N-Methylflindersine
N-Methylflindersine is an oxacycle, an organic heterotricyclic compound and an organonitrogen heterocyclic compound. N-Methylflindersine is a natural product found in Zanthoxylum beecheyanum, Melicope denhamii, and other organisms with data available. N-Methylflindersine is a compound isolated as insect antifeedants from the East African Rutaceous medicinal plants Fagara chalybea and F. holtziana[1]. N-Methylflindersine is a compound isolated as insect antifeedants from the East African Rutaceous medicinal plants Fagara chalybea and F. holtziana[1].
6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone
2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridine-4(3H)-one
Methocarbamol
Methocarbamol is only found in individuals that have used or taken this drug. It is a centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206)The mechanism of action of methocarbamol in humans has not been established, but may be due to central nervous system depression. It has no direct action on the contractile mechanism of striated muscle, the motor end plate or the nerve fiber. M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BA - Carbamic acid esters D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents
Schinifoline
Alkaloid from roots of Zanthoxylum simulans (Szechuan pepper). Schinifoline is found in herbs and spices and fruits. Schinifoline is found in fruits. Schinifoline is an alkaloid from roots of Zanthoxylum simulans (Szechuan pepper).
N-[2-(4-Hydroxyphenyl)ethyl]benzamide
N-[2-(4-Hydroxyphenyl)ethyl]benzamide is found in pomes. N-[2-(4-Hydroxyphenyl)ethyl]benzamide is an alkaloid from seeds of the Mexican apple (Casimiroa edulis
Dioscoretine
Dioscoretine is found in root vegetables. Dioscoretine is an alkaloid from the tubers of the famine food Dioscorea dumetorum. Alkaloid from the tubers of the famine food Dioscorea dumetorum. Dioscoretine is found in root vegetables.
Erythrohydrobupropion
Erythrohydrobupropion is the breakdown product of bupropion, a drug used as an anti-depressant. [HMDB] Erythrohydrobupropion is the breakdown product of bupropion, a drug used as an anti-depressant.
2-(4-Methyl-5-thiazolyl)ethyl hexanoate
2-(4-Methyl-5-thiazolyl)ethyl hexanoate 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 .
Dehydroisochalciporone
Dehydroisochalciporone is found in mushrooms. Nonpungent constituent of Chalciporus piperatus. Nonpungent constituent of Chalciporus piperatus. Dehydroisochalciporone is found in mushrooms.
2-Phenylethyl 2-aminobenzoate
2-Phenylethyl 2-aminobenzoate is a flavouring ingredient. Flavouring ingredient
N-Desmethyldiphenhydramine
N-Desmethyldiphenhydramine is a metabolite of Diphenhydramine. The antihistaminic drug diphenhydramine (DPH) is mainly used as a sedative, hypnotic and antiemetic. (PMID: 16857332)
3'-Amino-3'-deoxythimidine
3-Amino-3-deoxythimidine is a metabolite of zidovudine. Zidovudine or azidothymidine (AZT) (also called ZDV) is a nucleoside analog reverse-transcriptase inhibitor (NRTI), a type of antiretroviral drug used for the successful treatment of HIV/AIDS infectiousness. It is a therapeutic analog of thymidine. AZT is the first U.S. government-approved treatment for HIV therapy, prescribed under the names Retrovir and Retrovis. (Wikipedia)
N,N-Didemethyl orphenadrine
N,N-Didemethyl orphenadrine is a metabolite of orphenadrine. Orphenadrine is an anticholinergic drug of the ethanolamine antihistamine class with prominent CNS and peripheral actions used to treat painful muscle spasms, other similar conditions, as well as the treatment of some aspects of Parkinsons Disease. It is closely related to diphenhydramine. Therefore, it is related to other drugs used for Parkinsons like benztropine and trihexyphenidyl, and it is also structurally related to nefopam, which is a centrally-acting yet non-opioid analgesic. (Wikipedia)
((2R,3S)-3-Amino-2-hydroxy-2-(1H-imidazol-4-ylmethyl)-5-methyl)-5-methylhexanoic Acid
(1R,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
(S)-3-([1,1'-Biphenyl]-4-yl)-2-aminopropanoic acid
1-[(2R,4R,5R)-5-(Aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
4(1H)-Pteridinone, 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-
2,3,5-Trimethyl-6-(3-pyridylmethyl)-1,4-benzoquinone
2-Methyl-3-(1,4,5,6-tetrahydronicotinoyl)pyrazolo(1,5-a)pyridine
2-(Tert-butylamino)-1-(5-chlorocyclohexa-1,4-dien-1-yl)propan-1-one
o6-Benzylguanine
C471 - Enzyme Inhibitor > C2134 - O6-Alkylguanine-DNA Alkyltransferase Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
(6S)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
Tetrahydrobiopterin or BH4 is a cofactor in the synthesis of nitric oxide. It is also essential in the conversion of phenylalanine to tyrosine by the enzyme phenylalanine-4-hydroxylase; the conversion of tyrosine to L-dopa by the enzyme tyrosine hydroxylase; and conversion of tryptophan to 5-hydroxytryptophan via tryptophan hydroxylase. A defect in BH4 production and/or a defect in the enzyme dihydropteridine reductase (DHPR) causes phenylketonuria type IV, as well as dopa-responsive dystonias. -- Wikipedia. [HMDB] Tetrahydrobiopterin ((Rac)-Sapropterin) is a cofactor of the aromatic amino acid hydroxylases enzymes and also acts as an essential cofactor for all nitric oxide synthase (NOS) isoforms.
((2R,3S)-3-Amino-2-hydroxy-2-(1H-imidazol-4-ylmethyl)-5-methyl)-5-methylhexanoic Acid
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
2-Fluoro-6-{[2-(2-pyridyl)ethyl]amino}benzonitrile
(+-)-Demethylpropoxyphencarbinol|3-amino-1,2-diphenyl-butan-2-ol
(2E,4E)-undeca-2,4-diene-8,10-diynoic acid piperidide|2E,4E-undeca-2,4-diene-8,10-diynoic acid piperidide
3beta-(3-hydroxy-2-methylbutyryloxy)tropane|astrimalvine B
(6Z,8E)-3-hydroxy-6-(hydroxymethyl)-2,8-dimethyldeca-6,8-dienamide|JBIR-08
4-Dimethylaminomethyl-1-oxa-spiro[2.5]octan-2-carbonsaeure-aethylester|4-dimethylaminomethyl-1-oxa-spiro[2.5]octane-2-carboxylic acid ethyl ester
(6E,8Z)-3-hydroxy-8-(hydroxymethyl)-2,6-dimethyldeca-6,8-dienamide|JBIR-07
3-OHBap|6-(3-hydroxybenzylamino)purine|6-m-hydroxybenzylaminopurine|m-topolin|meta-topolin|mT
methocarbamol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BA - Carbamic acid esters D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 3
mefenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide
N-tert-Butyldimethylsilyl-N-methyltrifluoroacetamide
3-oxo-C8-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 209 INTERNAL_ID 209; CONFIDENCE standard compound
(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based on: CCMSLIB00000845102]
(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide [IIN-based: Match]
Phenethyl anthranilate
CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9653; ORIGINAL_PRECURSOR_SCAN_NO 9651 CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9685; ORIGINAL_PRECURSOR_SCAN_NO 9681 CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9674; ORIGINAL_PRECURSOR_SCAN_NO 9671 CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9747; ORIGINAL_PRECURSOR_SCAN_NO 9744 CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9717; ORIGINAL_PRECURSOR_SCAN_NO 9715 CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9767; ORIGINAL_PRECURSOR_SCAN_NO 9765 ORIGINAL_ACQUISITION_NO 9767; CONFIDENCE standard compound; INTERNAL_ID 612; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 9765
1,2-Propanediol, 3-[[2-(2-methoxyphenoxy)ethyl]amino]
(7R,8R,E)-6-((S)-3-hydroxy-2-methylpropylidene)-8-methyloctahydroindolizine-7,8-diol
1,1-Dimethylethyl 2-Oxa-8-azaspiro[4.5]decane-8-carboxylate
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
1-(4-METHOXYBENZYL)-2,3-DIHYDRO-IMIDAZO[1,2-A]PYRIDIN-1-IUM
6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidin-4(3H)-one
2-METHYL-1,2,3,4-TETRAHYDRO-ACRIDINE-9-CARBOXYLIC ACID
7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
cis-2-Benzylaminomethyl-1-cyclopentanol hydrochloride
tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate
2-Thiazolecarboxylic acid,4-(1,1-dimethylethyl)-,1,1-dimethylethyl ester
(1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid methyl ester
7-(4-METHOXYPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-AMINE
4-cyclopentyloxypyridine-2-carboximidamide,hydrochloride
tert-butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one
(1S,2S,4R)-7-(tert-Butoxycarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
2-((TERT-BUTOXYCARBONYLAMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
(5-(((tert-Butoxycarbonyl)amino)methyl)furan-2-yl)boronic acid
tert-butyl 8-hydroxy-5-azaspiro[3.5]nonane-5-carboxylate
(S)-1-tert-Butyl 2-methyl 4-methylenepyrrolidine-1,2-dicarboxylate
(4-Methyl-pyridin-2-yl)-piperidin-4-ylmethyl-amine hydrochloride
5-(TRIFLUOROMETHYL)-2,3-DIHYDROSPIRO[INDENE-1,2-PYRROLIDINE]
(1R-4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]- 2-Cyclopentene-1-carboxylic acid methyl ester
3-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)ANILINE HYDROCHLORIDE
N3-(4-(1H-IMIDAZOL-1-YL)PHENYL)-1H-1,2,4-TRIAZOLE-3,5-DIAMINE
Methyl (1R,2R)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-vi nylcyclopropanecarboxylate
Methyl (1S,2R)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-vi nylcyclopropanecarboxylate
TERT-BUTYL 3A-(HYDROXYMETHYL)HEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE
1-(4-FLUOROBENZYL)-5-OXO-3-PYRROLIDINECARBOXYLICACID
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroindolizine
Enfenamic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-(DIMETHYLAMINO)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanol
4-(Morpholin-4-yl)benzene-1-carboximidamide hydrochloride
METHYL 4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENT-2-ENECARBOXYLATE
1-TERT-BUTOXYCARBONYLAMINO-2-VINYL-CYCLOPROPANECARBOXYLIC ACID METHYL ESTER
tert-butyl 7-hydroxy-2-azaspiro[3.5]nonane-2-carboxylate
5-Hydroxymethyl-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
tert-butyl 7-methyl-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylate
2-(2,5-dimethoxy-4-methylsulfanylphenyl)-1-methyl-ethylamine
2,6-DIMETHYL-4-(TETRAHYDRO-1H-PYRROL-1-YLMETHYL)PHENOL HYDROCHLORIDE
Choline salicylate
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-AMINO-3-METHYL-BIPHENYL-4-CARBOXYLIC ACID METHYL ESTER
8-(ETHOXYCARBONYL)-2-METHYL-1-OXA-8-AZASPIRO[4,5]-DECAN-3-ONE
(1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-propanol hydrochloride (1:1 )
3-AMINO-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-PROPIONIC ACID
2-[5-(1H-1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
tert-butyl 3-piperazin-1-ylazetidine-1-carboxylate
Benzenamine,4-methoxy-N-[(4-methoxyphenyl)methylene]-
(S)-1-Boc-2,3-Dihydro-2-pyrrolecarboxylic acid ethyl ester
4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-CYCLOPENTENE-1-CARBOXYLIC ACID METHYL ESTER
7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
tert-butyl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
(3S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
7-Oxa-2-azaspiro[3.5]nonane-2-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
1-tert-Butyl 4-methyl 5,6-dihydropyridine-1,4(2H)-dicarboxylate
Phenformin hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98234 - Biguanide Antidiabetic Agent Phenformin hydrochloride is an anti-diabetic agent from the biguanide class, can activate AMPK activity.
5-(2-HYDROXYETHYL)-2-MORPHOLINOPYRIMIDINE-4,6-DIOL
tert-butyl 3-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
1-(TERT-BUTOXYCARBONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPINE-3-CARBOXYLIC ACID
1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylicacid
(E)-2,5-dimethylhex-2-enoate,methyl 2-methylprop-2-enoate
Furan-2-ylmethyl-(3-methyl-1-phenyl-but-3-enyl)-amine
tert-butyl 4-(2-oxopropyl)piperidine-1-carboxylate
tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
N-(tert-Butyldimethylsilyl)-N-methyltrifluoroacetamide
(3R,4R)-BENZYL 3,4-DIFLUOROPYRROLIDINE-1-CARBOXYLATE
tert-butyl 4-(azetidin-3-yl)piperazine-1-carboxylate
2-(2-Benzimidazoleamino)-4-hydroxy-6-methylpyrimidine
2,5-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-(CYCLOHEX-1-EN-1-YL)-1H-INDOLE-6-CARBOXYLIC ACID
7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-7-azabicyclo[2.2.1]heptane -1-carboxylic acid
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-2-carboxylic acid
6-[(4,6-dioxo-1H-pyrimidin-2-yl)amino]hexanoic acid
Diethylpropion Hydrochloride
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylic acid
2-(N-METHYL-N-PHENYL)AMINOMETHYLBENZENEBORONIC ACID
6-[(2-Methoxyethyl)amino]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxaldehyde
4-(4-Chloro-5-Methyl-pyriMidin-2-ylaMino)-cyclohexanol
4-(2-Chloro-6-methyl-pyrimidin-4-ylamino)-cyclohexanol
(S)-1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-pyrrolidin-3-ol
2-Butenoic acid, 3-[(2,4-difluorophenyl)aMino]-, ethyl ester
1,2,3,4 tetrahydro-5-Methoxy-N- ethyl 2-napthalenamine HCl
(R)-1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-pyrrolidin-3-ol
N-(3-Oxooctanoyl)-DL-homoserine lactone
N-(3-Oxooctanoyl)-DL-homoserine lacton is a member of N-Acyl homoserine lactone (AHL) from gram-negative bacteria, with stereochemistry-dependent growth regulatory activity for roots [1].
2-[(tert-butoxy)carbonyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
1-(2-methylpropyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium
Boron, ethenyl[(B-ethenylboronic acid-κO) bimol. monoanhydridato(2-)](pyridine)-, (T-4)
tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
(3S,4R)-4-(Naphthalen-2-yl)pyrrolidine-3-carboxylic acid
Pancal
Dietary supplement D-Pantothenic acid sodium (Sodium pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid sodium plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
Betahistine EP Impurity C
Betahistine EP Impurity C (NSC19005) is an impurity of Betahistine[1]. Betahistine is a potent, orally active and well-tolerated histamine H1 receptor agonist and H3 receptor antagonist used for the study of rheumatoid arthritis (RA)[2][3].
(1S,3R,4R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
N-butyl-N-(3-chloropropyl)butan-1-amine hydrochloride
2-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 1,1-dimethylethyl ester
4-Hydroxy-4-(2-propenyl)piperidine-1-carboxylic acid tert-butyl ester
1-TERT-BUTYL 3-METHYL 4-AMINO-1H-PYRAZOLE-1,3-DICARBOXYLATE
2-Methyl-2-propanyl [4-(2-oxoethyl)cyclohexyl]carbamate
(1-PYRROLIDIN-3-YL-AZETIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
(S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
Dutogliptin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Cyclopropanecarboxylic acid, 1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl ester
4-(4-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine
2-methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol
(R*,S*)-2-(T-Butylamino)1-(3-chlorophenyl) propanol
2-Methyl-3-(1,4,5,6-tetrahydronicotinoyl)pyrazolo(1,5-a)pyridine
4(1H)-Pteridinone, 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-
(1R,4R,5S)-1-((1S)-1-Hydroxy-2-methylpropyl)-4-propyl-6-oxa-2-azabicyclo(3.2.0)heptane-3,7-dione
1-[4-[(4,6-Dimethyl-2-pyrimidinyl)amino]phenyl]ethanone
Tert-Butyl [(1r)-2-Methyl-1-(1,3,4-Oxadiazol-2-Yl)propyl]carbamate
Tert-Butyl [(1s)-2-Methyl-1-(1,3,4-Oxadiazol-2-Yl)propyl]carbamate
50333-13-6
N-Methylflindersine is a compound isolated as insect antifeedants from the East African Rutaceous medicinal plants Fagara chalybea and F. holtziana[1]. N-Methylflindersine is a compound isolated as insect antifeedants from the East African Rutaceous medicinal plants Fagara chalybea and F. holtziana[1].
Sapropterin
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1R,2S-enantiomer). C26170 - Protective Agent > C275 - Antioxidant Sapropterin is converted from 7,8-dihydroneopterin triphosphate by 6-pyruvoyl tetrahydropterin synthase and sepiapterin reductase. It is essential in the formation of neurotransmitters and for nitric oxide synthase (PMID 16946131). [HMDB] Tetrahydrobiopterin ((Rac)-Sapropterin) is a cofactor of the aromatic amino acid hydroxylases enzymes and also acts as an essential cofactor for all nitric oxide synthase (NOS) isoforms.
N,N-Didemethyl orphenadrine
N,N-Didemethyl orphenadrine is a metabolite of orphenadrine. Orphenadrine is an anticholinergic drug of the ethanolamine antihistamine class with prominent CNS and peripheral actions used to treat painful muscle spasms, other similar conditions, as well as the treatment of some aspects of Parkinsons Disease. It is closely related to diphenhydramine. Therefore, it is related to other drugs used for Parkinsons like benztropine and trihexyphenidyl, and it is also structurally related to nefopam, which is a centrally-acting yet non-opioid analgesic. (Wikipedia)
5,6,7,8-Tetrahydrobiopterin
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(1R,2R)-1-(3-Chlorophenyl)-2-(tert-butylamino)-1-propanol
Festuclavine(1+)
An organic cation obtained by deprotonation of the tertiary amino group of festuclavine; major species at pH 7.3.
N~6~-[(2r)-3,4-Dihydro-2h-Pyrrol-2-Ylcarbonyl]-L-Lysine
(6R)-L-threo-tetrahydrobiopterin
A 5,6,7,8-tetrahydrobiopterin in which the 1,2-dihydroxypropyl group has (1S,2S)-configuration.
Thiopental(1-)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3,4-Dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
Diethyl-(1-oxo-1-phenylpropan-2-yl)azanium;chloride
2,5-Dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde
L-erythro-5,6,7,8-tetrahydrobiopterin
5,6,7,8-Tetrahydrobiopterin in which the 1,2-dihydroxypropyl side-chain has L-erythro-configuration.
2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione
(2E,4E)-N-(1,3-dihydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienamide
2-amino-6-[(1R)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
(2S)-2-(Tetrahydrofuran-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester
5-Methyl-2-deoxycytidine
5-Methyl-2'-deoxycytidine in single-stranded DNA can act in cis to signal de novo DNA methylation[1][2]. 5-Methyl-2'-deoxycytidine in single-stranded DNA can act in cis to signal de novo DNA methylation[1][2].
1-[4-Amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid
(6R)-5,6,7,8-Tetrahydrobiopterin
A 5,6,7,8-tetrahydrobiopterin in which the stereocentre at position 6 has R-configuration.
2’-Deoxy-N4-methylcytidine
2’-Deoxy-N4-methylcytidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
