Exact Mass: 215.0582404
Exact Mass Matches: 215.0582404
Found 500 metabolites which its exact mass value is equals to given mass value 215.0582404,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kinetin
Kinetin is a member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group. It has a role as a geroprotector and a cytokinin. It is a member of furans and a member of 6-aminopurines. Kinetin is a cytokinin which are plant hormones promotes cell division and plant growth. It was shown to naturally exist in DNA of organisms including humans and various plants. While kinetin is used in tissue cultures to produce new plants, it is also found in cosmetic products as an anti-aging agents. Kinetin is a natural product found in Cocos nucifera, Beta vulgaris, and other organisms with data available. A furanyl adenine found in PLANTS and FUNGI. It has plant growth regulation effects. Kinetin can react with UDP-D-glucose to produce kinetin-7-N-glucoside or kinetin-9-N-glucoside, with UDP as a byproduct. The reaction is catalyzed by UDP glycosyltransferase. Kinetin is a hormone derived from plants. Kinetin can react with UDP-D-glucose to produce kinetin-7-N-glucoside or kinetin-9-N-glucoside, with UDP as a byproduct. The reaction is catalyzed by UDP glycosyltransferase. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2712; ORIGINAL_PRECURSOR_SCAN_NO 2710 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2714; ORIGINAL_PRECURSOR_SCAN_NO 2711 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5910; ORIGINAL_PRECURSOR_SCAN_NO 5905 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2699; ORIGINAL_PRECURSOR_SCAN_NO 2696 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5865; ORIGINAL_PRECURSOR_SCAN_NO 5864 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5900; ORIGINAL_PRECURSOR_SCAN_NO 5896 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2691; ORIGINAL_PRECURSOR_SCAN_NO 2689 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5890; ORIGINAL_PRECURSOR_SCAN_NO 5889 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2693; ORIGINAL_PRECURSOR_SCAN_NO 2691 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5911; ORIGINAL_PRECURSOR_SCAN_NO 5908 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5893; ORIGINAL_PRECURSOR_SCAN_NO 5891 CONFIDENCE standard compound; INTERNAL_ID 781; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2689; ORIGINAL_PRECURSOR_SCAN_NO 2687 IPB_RECORD: 305; CONFIDENCE confident structure KEIO_ID F014; [MS2] KO008961 KEIO_ID F014 Kinetin (N6-furfuryladenine) belongs to the family of N6-substituted adenine derivatives known as cytokinins, which are plant hormones involved in cell division, differentiation and other physiological processes. Kinetin has anti-aging effects[1]. Kinetin (N6-furfuryladenine) belongs to the family of N6-substituted adenine derivatives known as cytokinins, which are plant hormones involved in cell division, differentiation and other physiological processes. Kinetin has anti-aging effects[1]. Kinetin (N6-furfuryladenine) belongs to the family of N6-substituted adenine derivatives known as cytokinins, which are plant hormones involved in cell division, differentiation and other physiological processes. Kinetin has anti-aging effects[1].
atrazine
A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group. D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 718; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8568; ORIGINAL_PRECURSOR_SCAN_NO 8565 CONFIDENCE standard compound; INTERNAL_ID 718; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8581; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 718; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8572; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 718; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8520; ORIGINAL_PRECURSOR_SCAN_NO 8518 CONFIDENCE standard compound; INTERNAL_ID 718; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8527; ORIGINAL_PRECURSOR_SCAN_NO 8525 CONFIDENCE standard compound; INTERNAL_ID 718; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8492; ORIGINAL_PRECURSOR_SCAN_NO 8489 CONFIDENCE standard compound; EAWAG_UCHEM_ID 288 CONFIDENCE standard compound; INTERNAL_ID 4033 CONFIDENCE standard compound; INTERNAL_ID 3109 CONFIDENCE standard compound; INTERNAL_ID 8414 CONFIDENCE standard compound; INTERNAL_ID 29
Glycerylphosphorylethanolamine
Glycerylphosphorylethanolamine is a membrane breakdown product resulting from the cleavage of the lipid group from glycerophosphoethanlomine fatty acids (i.e. phosphatidylethanolamine). It acts as a growth stimulant for hepatocytes. A membrane breakdown product resulting from the cleavage of the lipid group from glycerophosphoethanlomine fatty acids (i.e. phosphatidylethanolamine). It acts as a growth stimulant for hepatocytes. [HMDB]
Robustine
A quinoline alkaloid that is furo[2,3-b]quinoline substituted by a methoxy and a hydroxy group at positions 4 and 8 respectively. Robustine, a furoquinoline alkaloid, from Dictamnus albus, exhibits inhibitory potency against human phosphodiesterase 5 (hPDE5A) in vitro[1]. Robustine, a furoquinoline alkaloid, from Dictamnus albus, exhibits inhibitory potency against human phosphodiesterase 5 (hPDE5A) in vitro[1].
AG-126
C10H5N3O3 (215.03309000000002)
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors AG126 is a tyrosine kinase inhibitor, can inhibit the phosphorylation of ERK1 and ERK2 at 25-50 μM. AG126 can be used in meiosis, mitosis, and postmitotic research[1][2][3][4].
Atrazine
Atrazine is an organic compound consisting of an s-triazine-ring is a widely used herbicide. Its use is controversial due to widespread contamination in drinking water and its associations with birth defects and menstrual problems when consumed by humans at concentrations below government standards. Although it has been banned in the European Union,[2] it is still one of the most widely used herbicides in the world (Wikipedia). Atrazine is a suspected teratogen, causing demasculinization in male northern leopard frog even at low concentrations, and an estrogen disruptor. A 2010 study found that atrazine rendered 75 percent of male frogs sterile and turned one in 10 into females. A 2002 study found that exposure to atrazine caused male tadpoles to turn into hermaphrodites - frogs with both male and female sexual characteristics. But another study, requested by EPA and funded by Syngenta, was unable to reproduce these results. Atrazine was banned in the European Union (EU) in 2004 because of its persistent groundwater contamination. In the United States, however, atrazine is one of the most widely used herbicides, with 76 million pounds of it applied each year, in spite of the restriction that used to be imposed. Its endocrine disruptor effects, possible carcinogenic effect, and epidemiological connection to low sperm levels in men has led several researchers to call for banning it in the US.Rates of biodegradation are affected by atrazines low solubility, thus surfactants may increase the degradation rate. Though the two alkyl moieties readily support growth of certain microorganisms, the atrazine ring is a poor energy source due to the oxidized state of ring carbon. In fact, the most common pathway for atrazine degradation involves the intermediate, cyanuric acid, in which carbon is fully oxidized, thus the ring is primarily a nitrogen source for aerobic microorganisms. Atrazine may be catabolized as a carbon and nitrogen source in reducing environments, and some aerobic atrazine degraders have been shown to use the compound for growth under anoxia in the presence of nitrate as an electron acceptor, a process referred to as a denitrification. When atrazine is used as a nitrogen source for bacterial growth, degradation may be regulated by the presence of alternative sources of nitrogen. In pure cultures of atrazine-degrading bacteria, as well as active soil communitites, atrazine ring nitrogen, but not carbon are assimilated into microbial biomass. Low concentrations of glucose can decrease the bioavailability, whereas higher concentrations promote the catabolism of atrazine. Tyrone Hayes, Department of Integrative Biology, University of California, notes that all of the studies that failed to conclude that atrazine caused hermaphroditism were plagued by poor experimental controls and were funded by Syngenta, one of the companies that produce the chemical. The U.S. Environmental Protection Agency (EPA) and its independent Scientific Advisory Panel (SAP) examined all available studies on this topic including Hayes work and concluded that there are currently insufficient data to determine if atrazine affects amphibian development. Hayes, formerly part of the SAP panel, resigned in 2000 to continue studies independently. The EPA and its SAP made recommendations concerning proper study design needed for further investigation into this issue. As required by the EPA, Syngenta conducted two experiments under Good Laboratory Practices (GLP) and inspection by the EPA and German regulatory authorities. The paper concluded These studies demonstrate that long-term exposure of larval X. laevis to atrazine at concentrations ranging from 0.01 to 100 microg/l does not affect growth, larval development, or sexual differentiation. Another independent study in 2008 determined that the failure of recent studies to find that atrazine feminizes X. laevis calls into question the herbicides role in that decline. A report written in Environmental Scien... D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
3-Chlorotyrosine
3-Chlorotyrosine, a specific marker of myeloperoxidase-catalyzed oxidation, is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima. (PMID 9151778). In particular, myeloperoxidase halogenates tyrosine residues in plasma proteins and and generates 3-chlorotyrosine (CY). The detection of free chlorotyrosine in blood or urine arises from the degradation of these chlorinated proteins. CY concentrations may be useful for monitoring the activation of neutrophils in asthmatic patients (PMID 15196282). 3-Chlorotyrosine, a specific marker of myeloperoxidase-catalyzed oxidation, is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima. (PMID 9151778) [HMDB] D004791 - Enzyme Inhibitors 3-Chloro-L-tyrosine is a specific marker of myeloperoxidase-catalyzed oxidation, and is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima.
sn-glycero-3-Phosphoethanolamine
Sn-glycero-3-phosphoethanolamine is a substrate for: Lysoplasmalogenase. Glycerophosphoethanolamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1190-00-7 (retrieved 2024-07-25) (CAS RN: 1190-00-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Macaridine
C13H13NO2 (215.09462380000002)
Macaridine is found in root vegetables. Macaridine is an alkaloid from the tubers of Lepidium meyenii (maca). Alkaloid from the tubers of Lepidium meyenii (maca). Macaridine is found in root vegetables.
Acetyl vitamin K5
C13H13NO2 (215.09462380000002)
Prothrombogenic vitamin. Prothrombogenic vitamin
(+/-)-(E)-Ethyl-2-[(E)-hydroxyimino]-5-nitro-3-hexeneamide
4-(2-Pyridylazo)resorcinol
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
2-Amino-3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
2-Amino-3-(2-fluoro-3,4-dihydroxyphenyl)propanoic acid
6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
C10H11Cl2N (215.02685060000002)
Tyrphostin AG 126
C10H5N3O3 (215.03309000000002)
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors AG126 is a tyrosine kinase inhibitor, can inhibit the phosphorylation of ERK1 and ERK2 at 25-50 μM. AG126 can be used in meiosis, mitosis, and postmitotic research[1][2][3][4].
Naftazone
C - Cardiovascular system > C05 - Vasoprotectives > C05C - Capillary stabilizing agents D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent
(2S)-2-(Chloroamino)-3-(4-hydroxyphenyl)propanoic Acid
Fluorodopa F 18
V - Various > V09 - Diagnostic radiopharmaceuticals > V09I - Tumour detection C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
1-(3-phenylpropanoyl)-2H-pyrrol-5-one
C13H13NO2 (215.09462380000002)
Sulfacarbamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Methyl 2-sulfamoylbenzoate
CONFIDENCE standard compound; EAWAG_UCHEM_ID 126
dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
4-(2-Pyridylazo)resorcinol
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
C13H13NO2 (215.09462380000002)
N-(3-(p-hydroxyphenyl)propanoyl)pyrrole|piperlotine-E
C13H13NO2 (215.09462380000002)
1-(4-amino-imidazol-1-yl)-xi-D-1-deoxy-ribofuranose|5-Amino-imidazolribosid
1-(3-phenylprop-2-enoyl)pyrrolidin-2-one
C13H13NO2 (215.09462380000002)
5-hydroxy-4-methoxyfuro[2,3-b]quinoline|5-hydroxydictamnine
(E)-4-hydroxy-2,2-bipyridine-6-carbaldehyde oxime|caerulomycin H
3-(2-oxo-2-phenylethyl)-5, 6-dihydropyridin-2(1H)-one|callylactam A
C13H13NO2 (215.09462380000002)
(E)-2-cyano-3-phenyl-but-2-enoic acid ethyl ester|2-Cyan-3-phenyl-cis-crotonsaeure-aethylester|2-cyano-3-phenyl-cis-crotonic acid ethyl ester|ethyl (E)-2-cyano-3-methyl-3-phenyl-2-propenoate|ethyl(E)-2-cyano-3-methyl-3-phenyl-2-propenoate
C13H13NO2 (215.09462380000002)
3-(benzyloxy)-2-methyl-4(1H)-pyridinone
C13H13NO2 (215.09462380000002)
Tox21_302002
D-(+)-Galactosamine hydrochloride is a hexose.
Kinetin
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.604 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.594 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.598 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2421; CONFIDENCE confident structure Kinetin (N6-furfuryladenine) belongs to the family of N6-substituted adenine derivatives known as cytokinins, which are plant hormones involved in cell division, differentiation and other physiological processes. Kinetin has anti-aging effects[1]. Kinetin (N6-furfuryladenine) belongs to the family of N6-substituted adenine derivatives known as cytokinins, which are plant hormones involved in cell division, differentiation and other physiological processes. Kinetin has anti-aging effects[1]. Kinetin (N6-furfuryladenine) belongs to the family of N6-substituted adenine derivatives known as cytokinins, which are plant hormones involved in cell division, differentiation and other physiological processes. Kinetin has anti-aging effects[1].
3-Chloro-L-tyrosine
A chloroamino acid comprising a tyrosine core with a chloro- substituent ortho to the phenolic hydroxy group. D004791 - Enzyme Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. 3-Chloro-L-tyrosine is a specific marker of myeloperoxidase-catalyzed oxidation, and is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima.
3-(2-Naphthyl)-D-alanine
C13H13NO2 (215.09462380000002)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.477 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.475 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.471
2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
C13H13NO2 (215.09462380000002)
3-Chlorotyrosine
3-Chloro-L-tyrosine is a specific marker of myeloperoxidase-catalyzed oxidation, and is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima.
2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
C13H13NO2 (215.09462380000002)
2,2-(3-Chlorophenylimino)diethanol
CONFIDENCE standard compound; INTERNAL_ID 763; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8088; ORIGINAL_PRECURSOR_SCAN_NO 8086 CONFIDENCE standard compound; INTERNAL_ID 763; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8109; ORIGINAL_PRECURSOR_SCAN_NO 8107 CONFIDENCE standard compound; INTERNAL_ID 763; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8113; ORIGINAL_PRECURSOR_SCAN_NO 8111 CONFIDENCE standard compound; INTERNAL_ID 763; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8104; ORIGINAL_PRECURSOR_SCAN_NO 8103 CONFIDENCE standard compound; INTERNAL_ID 763; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8092; ORIGINAL_PRECURSOR_SCAN_NO 8090 CONFIDENCE standard compound; INTERNAL_ID 763; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8111; ORIGINAL_PRECURSOR_SCAN_NO 8109
Monochlorotyrosine
D004791 - Enzyme Inhibitors 3-Chloro-L-tyrosine is a specific marker of myeloperoxidase-catalyzed oxidation, and is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima.
N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N4-Benzoylcytosine
N4-Benzoylcytosine is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].
(1R)-6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
C10H11Cl2N (215.02685060000002)
methyl 6-cyano-1-methylpyrrolo[3,2-b]pyridine-2-carboxylate
5-(4-FLUORO-3-NITROPHENYL)-2H-TETRAZOLE
C13H13NO2 (215.09462380000002)
4-AMINO-N-(TETRAHYDRO-2-FURANYLMETHYL)BENZAMIDE
C10H11ClFNO (215.05131579999997)
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
C13H13NO2 (215.09462380000002)
2-ETHYL-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID
C13H13NO2 (215.09462380000002)
3-[3-(Trifluoromethyl)phenyl]pyrrolidine
C11H12F3N (215.09217879999997)
6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol hydrochloride (en)
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol,hydrochloride
2,3,4,9-Tetrahydro-1H-carbazole-2-carboxylic acid
C13H13NO2 (215.09462380000002)
3-Phenyl-2-(1H-pyrrol-1-yl)propanoic acid
C13H13NO2 (215.09462380000002)
4-((TRIMETHYLSILYL)ETHYNYL)-7H-PYRROLO[2,3-D]PYRIMIDINE
C11H13N3Si (215.08786980000002)
2-(3-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE
C11H12F3N (215.09217879999997)
3-(METHYLTHIO)-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE
2-amino-4,5-methylenedioxyacetophenone hydrochloride
2,5,7-trimethylquinoline-4-carboxylic acid
C13H13NO2 (215.09462380000002)
(S)-2-AMINO-3-(2-CHLORO-4-HYDROXYPHENYL)PROPANOIC ACID
Ethyl 4-chloro-1-methyl-6-oxo-dihydropyridine-3-carboxylate
N-(2-Amino-2-oxoethyl)-4-hydroxy-2-oxo-1-pyrrolidineacetamide
4-propan-2-yloxypyridine-2-carboximidamide,hydrochloride
2-chloro-6-propan-2-yloxypyridine-4-carboxylic acid
(2-TRIFLUOROMETHYL-PYRIDIN-4-YL)-METHANOL
C13H13NO2 (215.09462380000002)
1-(2-benzofuranylcarbonyl)-pyrrolidine
C13H13NO2 (215.09462380000002)
3-chloro-N-(2-fluoro-5-methylphenyl)propanamide
C10H11ClFNO (215.05131579999997)
5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid methyl ester
C13H13NO2 (215.09462380000002)
4-Pyridinecarboxylicacid, 2-(2-furanylmethylene)hydrazide
Methyl 3-amino-4-chloro-5-methoxybenzenecarboxylate
6-Nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C10H5N3O3 (215.03309000000002)
7-Nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C10H5N3O3 (215.03309000000002)
6-Quinolineacetic acid ethyl ester
C13H13NO2 (215.09462380000002)
3-AMINO-3-(2,5-DIMETHOXYFURAN-3-YL)-PROPIONIC ACID
cyclopropylmethyl-(4-trifluoromethyl-phenyl)-amine hydrochloride
C11H12F3N (215.09217879999997)
(3S,7aR)-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
C13H13NO2 (215.09462380000002)
Trimethylphenylammonium bromide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
ethyl 5-phenyl-1h-pyrrole-3-carboxylate
C13H13NO2 (215.09462380000002)
6-oxo-1,2-dihydro-6h-pyrrolo-[3,2,1-ij]quinoline-5-carboxylic acid
2-TERT-BUTOXYCARBONYLAMINO-3-(4-TERT-BUTOXYCARBONYLAMINO-PHENYL)-PROPIONICACID
Methyl 2-(4-(aminomethyl)phenyl)acetate hydrochloride
2-HYDRAZONO-3-METHYL-2,3-DIHYDROBENZO[D]THIAZOLE HYDROCHLORIDE
2-(hydroxyamino)-2-methyl-1-phenylpropan-1-one,hydrochloride
Tiamenidine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
5-OXO-1-PYRIDIN-2-YLMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID
CYCLOPROPYLMETHYL-(3-TRIFLUOROMETHYL-PHENYL)-AMINE
C11H12F3N (215.09217879999997)
METHYL 2-(3-(AMINOMETHYL)PHENYL)ACETATE HYDROCHLORIDE
(4-CYANO-3-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C8H5BF3NO2 (215.03654160000002)
2-OXO-6-PHENYL-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide
C9H10FNO2S (215.04162520000003)
Benzoic acid, 3-(1-aminoethyl)-, Methyl ester, hydrochloride
5H-CYCLOHEPTA[C]PYRIDINE, 1,3-DICHLORO-6,7,8,9-TETRAHYDRO-
C10H11Cl2N (215.02685060000002)
5-(methylthio)pyridin-3-ylthiomethylboronic acid 95
(Z)-ETHYL 2-(2-AMINOTHIAZOL-4-YL)-2-(HYDROXYIMINO)ACETATE
3-chloro-N-(3-fluoro-4-methylphenyl)propanamide
C10H11ClFNO (215.05131579999997)
3-(methoxymethyl)azetidine; trifluoroacetic acid
C7H12F3NO3 (215.07692379999997)
(2-CYANO-4-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C8H5BF3NO2 (215.03654160000002)
8-nitro-4-oxo-1H-quinoline-3-carbonitrile
C10H5N3O3 (215.03309000000002)
(4-METHYLPIPERIDINO)(4-PIPERIDINYL)METHANONEHYDROCHLORIDE
C8H13N3O2S (215.07284380000002)
3-(3-Trifluoromethylphenyl)pyrrolidine
C11H12F3N (215.09217879999997)
2-METHYL-1,2,3,4-TETRAHYDRO-6,7-TSOQUINOLINEDIOL HYDROCHLORIDE
5-amino-1-(6-methoxypyridin-2-yl)pyrazole-4-carbonitrile
Isoquinoline, 7,8-dichloro-1,2,3,4-tetrahydro-4-methyl- (9CI)
C10H11Cl2N (215.02685060000002)
4-(Methanesulfonylamino)benzoic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(4-TRIFLUOROMETHYLphenyl)pyrrolidine
C11H12F3N (215.09217879999997)
(S)-3-AMino-3-phenyl propionic acid Methylester HCl
3-chloro-N-(5-fluoro-2-methylphenyl)propanamide
C10H11ClFNO (215.05131579999997)
1,2,3,4-Tetrahydro-7-methoxy-6-isoquinolinol hydrochloride
3-Quinolinecarbonitrile, 1,4-dihydro-7-nitro-4-oxo-
C10H5N3O3 (215.03309000000002)
5-Nitro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C10H5N3O3 (215.03309000000002)
5,6,7,8-TETRAHYDROPYRIDO[3,4-B]PYRAZINE-7-CARBOXYLIC ACID HYDROCHLORIDE
4-Oxo-1,3-piperidinedicarboxylic acid 1,3-dimethyl ester
3,4-Diamino-N,N-dimethylbenzenesulfonamide
C8H13N3O2S (215.07284380000002)
Cosamin
(2S,3R,4S,5R)-2-Amino-3,4,5,6-tetrahydroxyhexanal hydrochloride is an endogenous metabolite.
2-(5-chloropyridin-2-yl)oxy-2-methylpropanoic acid
METHYL 6-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-INDOL-5-YL ETHER
ETHYL 4-CHLORO-1-METHYL-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE
2-Chloro-N-[2-(2-fluorophenyl)ethyl]acetamide
C10H11ClFNO (215.05131579999997)
4-ETHYL-6-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
(S)-2-(METHYLAMINO)-3-PHENYLPROPANOIC ACID HYDROCHLORIDE
(4-((Dimethylamino)methyl)phenyl)boronic acid hydrochloride
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-(cyanomethyl)-, Methyl ester
2-METHYL-5-(PROPYLSULFONYL)PYRIMIDIN-4-AMINE
C8H13N3O2S (215.07284380000002)
6-chloro-4-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
Glucopyranose,6-amino-6-deoxy-, hydrochloride, D- (6CI,8CI)
4-AMINO-2,3-DIFLUOROBENZENE ACETIC ACID ETHYL ESTER
Glycine,N-(phenylmethyl)-, methyl ester, hydrochloride (9CI)
Benzeneacetic acid, 4-amino-, ethyl ester, hydrochloride(1:1)
4-HYDRAZINO-N-METHYLBENZENEMETHANESULFONAMIDE
C8H13N3O2S (215.07284380000002)
N-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)ETHANAMINE HYDROCHLORIDE
1-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)-N-METHYLMETHANAMINE HYDROCHLORIDE
2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE HYDROCHLORIDE
3-[4-(Trifluoromethyl)phenyl]pyrrolidine
C11H12F3N (215.09217879999997)
Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate
8-CYANO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
3-CHLORO-N-(4-FLUORO-BENZYL)-PROPIONAMIDE
C10H11ClFNO (215.05131579999997)
(R/S)-4-(Aminomethyl)-3-pyrrolidinone O-Methyloxime Dichloride
C6H15Cl2N3O (215.05921199999997)
3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride
4-CHLORO-2-(METHYLTHIO)-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
5-Amino-2-chloro-4-Methoxy-benzoic acid Methyl ester
Methyl 2-amino-4,5-dimethyl-benzoate hydrochloride
(S)-2-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE
C11H12F3N (215.09217879999997)
(2S)-2-[3-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
C11H12F3N (215.09217879999997)
(2S)-2-(2,6-DICHLOROPHENYL)PYRROLIDINE
C10H11Cl2N (215.02685060000002)
(S)-3-(1-Amino-ethyl)-benzoic acid methyl ester hydrochloride
3-Methyl-2-Benzothiazolinone Hydrazone Hydrochloride
N-(3-(Aminomethyl)pyridin-2-yl)-N-methylmethanesulfonamide
C8H13N3O2S (215.07284380000002)
2-chloro-4-ethylamino-15n-6-isopropylamino-1,3,5-triazine
6-Chloro-N-cyclopropyl-2-(methylthio)pyrimidin-4-amine
PYRROLIDINE, 1-[4-(TRIFLUOROMETHYL)PHENYL]-
C11H12F3N (215.09217879999997)
N-Cyclopropyl-4-fluorobenzenesulfonamide
C9H10FNO2S (215.04162520000003)
2-Oxo-5-phenyl-1,2-dihydropyridine-3-carboxylic acid
3-(dimethylamino)azetidine-3-carboxamide,dihydrochloride
C6H15Cl2N3O (215.05921199999997)
1-({6-[(1-CYANOCYCLOHEXYL)AMINO]-HEXYL}AMINO)CYCLOHEXANECARBONITRILE
C8H13N3O2S (215.07284380000002)
D-Phenylglycine ethyl ester hydrochloride
D-(-)-α-Phenylglycine ethyl ester hydrochloride is a Glycine (HY-Y0966) derivative[1].
2-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE
C11H12F3N (215.09217879999997)
2h-1-benzopyran, 4-amino-3,4-dihydro-7-methoxy-, hydrochloride
3-AMINO-3-(3-CHLORO-4-HYDROXY-PHENYL)-PROPIONIC ACID
1-(benzotriazol-1-yl)-2,2,2-trifluoroethanone
C8H4F3N3O (215.03064499999996)
Ethyl 3-(methylsulfanyl)-5-oxo-2,5-dihydro-1,2,4-triazine-6-carboxylate
D-Glucosamine hydrochloride
Glucosamine hydrochloride (D-Glucosamine hydrochloride) is an amino sugar and a prominent precursor in the biochemical synthesis of glycosylated proteins and lipids, is used as a dietary supplement. Glucosamine hydrochloride also is a natural constituent of glycosaminoglycans in the cartilage matrix and synovial fluid, which when administered exogenously, exerts pharmacological effects on osteoarthritic cartilage and chondrocytes[1]. Glucosamine hydrochloride (D-Glucosamine hydrochloride) is an amino sugar and a prominent precursor in the biochemical synthesis of glycosylated proteins and lipids, is used as a dietary supplement. Glucosamine hydrochloride also is a natural constituent of glycosaminoglycans in the cartilage matrix and synovial fluid, which when administered exogenously, exerts pharmacological effects on osteoarthritic cartilage and chondrocytes[1].
4-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLINE-5-CARBOXYLICACID
ac-his-oh h2o
N-Acetyl-L-histidine monohydrate, a histidine derivative, is a prominent biomolecule in brain, retina and lens of poikilothermic vertebrates. N-Acetyl-L-histidine monohydrate has a role as an animal metabolite[1].
Ethyl (6-methyl-2-pyridinyl)acetate hydrochloride (1:1)
Carisbamate
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
Phosphoric acid, MONO(2-aminoethyl) mono((2S)-2,3-dihydroxypropyl) ester
6-Amino-2-Methyl-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
(E,2Z)-4-Ethyl-2-hydroxyimino-5-nitro-hex-3-enamide
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
8-Methyl-1,5-dihydropyrimido[5,4-b]indole-4-thione
Ovothiol B
C8H13N3O2S (215.07284380000002)
A L-histidine derivative that is N-methyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively.
7,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline
C10H11Cl2N (215.02685060000002)
2,7-Dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Fluorodopa F-18
V - Various > V09 - Diagnostic radiopharmaceuticals > V09I - Tumour detection C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
naftazone
C - Cardiovascular system > C05 - Vasoprotectives > C05C - Capillary stabilizing agents D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent
2-(Acetamidomethylene)-3-(hydroxymethyl)succinate
C8H9NO6-2 (215.04298540000002)
3-Methoxy-5-methyl-1-naphthoate
A naphthoate that is the conjugate base of 3-methoxy-5-methyl-1-naphthoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
3-chloro-L-tyrosine zwitterion
An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-chloro-L-tyrosine; major species at pH 7.3.
[2,3-Dihydroxypropyl(2-hydroxyethyl)amino]phosphonic acid
N-(4-methyl-5-thiadiazolyl)carbamic acid 2-methylpropyl ester
C8H13N3O2S (215.07284380000002)
(2S)-2-(methylazaniumyl)-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
C8H13N3O2S (215.07284380000002)
[2-Chloroethyl-[(2-chloroethylamino)-oxomethyl]amino]-oxidoammonium
C5H11Cl2N3O2 (215.02282860000003)
(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
ovothiol B zwitterion
C8H13N3O2S (215.07284380000002)
An L-alpha-amino acid zwitterion formed from ovothiol B by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
desmethylnaproxen(1-)
A monocarboxylic acid anion that is the conjugate base of desmethylnaproxen, obtained by deprotonation of the carboxy group; major species at pH 7.3.
6-fluoro-L-dopa
A non-proteinognic L-alpha-amino acid that is L-alanine in which one of the hydrogens of the methyl group has been replaced by a 2-fluoro-4,5-dihydroxyphenyl group.
caerulomycin H
A pyridine alkaloid that is 2,2-bipyridine substituted by a hydroxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
2-Aminosulfonyl-benzoic acid methyl ester
A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl.
2-Amino-2-deoxyglucose (hydrochloride)
2-Amino-2-deoxyglucose hydrochloride is a hexosamine hydrochloride can be used in the synthesis of cyclopropene-modified hexosamine derivative Ac4GlcNCyoc and Ac4GalNCyoc[1].