Exact Mass: 225.1495
Exact Mass Matches: 225.1495
Found 347 metabolites which its exact mass value is equals to given mass value 225.1495,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cyprodinil
CONFIDENCE standard compound; INTERNAL_ID 810; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9314; ORIGINAL_PRECURSOR_SCAN_NO 9312 CONFIDENCE standard compound; INTERNAL_ID 810; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9292 CONFIDENCE standard compound; INTERNAL_ID 810; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9313; ORIGINAL_PRECURSOR_SCAN_NO 9312 CONFIDENCE standard compound; INTERNAL_ID 810; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9269; ORIGINAL_PRECURSOR_SCAN_NO 9268 CONFIDENCE standard compound; INTERNAL_ID 810; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9257; ORIGINAL_PRECURSOR_SCAN_NO 9256 CONFIDENCE standard compound; INTERNAL_ID 810; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9258; ORIGINAL_PRECURSOR_SCAN_NO 9257 CONFIDENCE standard compound; EAWAG_UCHEM_ID 148 CONFIDENCE standard compound; INTERNAL_ID 2569 KEIO_ID C172; [MS2] KO008908 Cyprodinil is a fungicide. Cyprodinil is a fungicide KEIO_ID C172
Prometon
CONFIDENCE standard compound; INTERNAL_ID 887; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7673; ORIGINAL_PRECURSOR_SCAN_NO 7670 CONFIDENCE standard compound; INTERNAL_ID 887; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7712; ORIGINAL_PRECURSOR_SCAN_NO 7710 CONFIDENCE standard compound; INTERNAL_ID 887; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7721; ORIGINAL_PRECURSOR_SCAN_NO 7717 CONFIDENCE standard compound; INTERNAL_ID 887; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7666; ORIGINAL_PRECURSOR_SCAN_NO 7665 CONFIDENCE standard compound; INTERNAL_ID 887; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7740; ORIGINAL_PRECURSOR_SCAN_NO 7739 CONFIDENCE standard compound; INTERNAL_ID 887; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7729; ORIGINAL_PRECURSOR_SCAN_NO 7727 CONFIDENCE standard compound; EAWAG_UCHEM_ID 132 CONFIDENCE standard compound; INTERNAL_ID 3619
4-(Dimethylamino)azobenzene
4-(Dimethylamino)azobenzene is formerly used as a food dye, use discontinued.Methyl yellow, or C.I. 11020, is a chemical compound which may be used as a pH indicator. In aqueous solution at low pH, methyl yellow appears red. Between pH 2.9 and 4.0, methyl yellow undergoes a transition, to become yellow above pH 4.0. As "butter yellow" the agent had been used as a food additive before its toxicity was recognized (Opie EL). (Wikipedia Formerly used as a food dye, use discontinued D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents
Terbutaline
Terbutaline is only found in individuals that have used or taken this drug. It is a selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic. [PubChem]The pharmacologic effects of terbutaline are at least in part attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3,5- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Terbutaline is an orally active β2-adrenergic receptor agonist and an active metabolite of bambuterol[1]. Terbutaline can be used in asthma symptom research[2]. Terbutaline is an orally active β2-adrenergic receptor agonist and an active metabolite of bambuterol[1]. Terbutaline can be used in asthma symptom research[2].
secbumetone
CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7666; ORIGINAL_PRECURSOR_SCAN_NO 7665 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7673; ORIGINAL_PRECURSOR_SCAN_NO 7670 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7712; ORIGINAL_PRECURSOR_SCAN_NO 7710 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7682; ORIGINAL_PRECURSOR_SCAN_NO 7680 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7740; ORIGINAL_PRECURSOR_SCAN_NO 7739 CONFIDENCE standard compound; INTERNAL_ID 1181; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7721; ORIGINAL_PRECURSOR_SCAN_NO 7717 CONFIDENCE standard compound; EAWAG_UCHEM_ID 669
6-Benzylaminopurine
6-Benzylaminopurine (6-BAP), also known as N6-benzyladenine or cytokinin B, belongs to the class of organic compounds known as 6-alkylaminopurines. 6-Alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-Benzylaminopurine is a very strong basic compound (based on its pKa). Outside of the human body, 6-benzylaminopurine has been detected, but not quantified in, garden tomato (var.) and wild celeries. This could make 6-benzylaminopurine a potential biomarker for the consumption of these foods. 6-Benzylaminopurine is a synthetic cytokinin applied externally postharvest to maintain the quality, delay senescence, and improve the nutritional value of green vegetables (PMID: 22148319). 6-Benzylaminopurine, benzyl adenine or BAP is a first-generation synthetic cytokinin which elicits plant growth and development responses, setting blossoms and stimulating fruit richness by stimulating cell division. It is an inhibitor of respiratory kinase in plants, and increases post-harvest life of green vegetables. Cytokinin B is found in wild celery and garden tomato (variety). CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6963; ORIGINAL_PRECURSOR_SCAN_NO 6960 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3175; ORIGINAL_PRECURSOR_SCAN_NO 3173 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6962; ORIGINAL_PRECURSOR_SCAN_NO 6960 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6947; ORIGINAL_PRECURSOR_SCAN_NO 6945 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6966; ORIGINAL_PRECURSOR_SCAN_NO 6965 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6971; ORIGINAL_PRECURSOR_SCAN_NO 6967 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3236; ORIGINAL_PRECURSOR_SCAN_NO 3235 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6911; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3181; ORIGINAL_PRECURSOR_SCAN_NO 3179 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3214; ORIGINAL_PRECURSOR_SCAN_NO 3213 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3173; ORIGINAL_PRECURSOR_SCAN_NO 3171 D006133 - Growth Substances > D010937 - Plant Growth Regulators KEIO_ID B015; [MS2] KO008874 KEIO_ID B015 6-Benzylaminopurine (Benzyladenine) is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables[1]. 6-Benzylaminopurine is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables.
o-Aminoazotoluene
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004396 - Coloring Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1221; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9258; ORIGINAL_PRECURSOR_SCAN_NO 9257 CONFIDENCE standard compound; INTERNAL_ID 1221; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9761; ORIGINAL_PRECURSOR_SCAN_NO 9760 CONFIDENCE standard compound; INTERNAL_ID 1221; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9292 CONFIDENCE standard compound; INTERNAL_ID 1221; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9314; ORIGINAL_PRECURSOR_SCAN_NO 9312 CONFIDENCE standard compound; INTERNAL_ID 1221; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9340; ORIGINAL_PRECURSOR_SCAN_NO 9339 CONFIDENCE standard compound; INTERNAL_ID 1221; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9313; ORIGINAL_PRECURSOR_SCAN_NO 9312
Prenalterol
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Prenalterol is a selective β1-adrenergic receptor agonist. Prenalterol has no effect on gut smooth muscle contractile activity. Prenalterol can be used for researching cardiovascular disease[1].
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol is considered to be slightly soluble (in water) and relatively neutral
Nnal-N-oxide
Nnal-n-oxide belongs to the family of Pyridines and Derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
terbutaline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents CONFIDENCE standard compound; INTERNAL_ID 1101 KEIO_ID T126; [MS3] KO009270 KEIO_ID T126; [MS2] KO009267 KEIO_ID T126 Terbutaline is an orally active β2-adrenergic receptor agonist and an active metabolite of bambuterol[1]. Terbutaline can be used in asthma symptom research[2]. Terbutaline is an orally active β2-adrenergic receptor agonist and an active metabolite of bambuterol[1]. Terbutaline can be used in asthma symptom research[2].
4,5-Dimethyl-2-octylthiazole
4,5-Dimethyl-2-octylthiazole is found in animal foods. 4,5-Dimethyl-2-octylthiazole is a flavour component of fried chicken and roast beef. Flavour component of fried chicken and roast beef. 4,5-Dimethyl-2-octylthiazole is found in animal foods.
4-Ethyl-2-heptyl-5-methylthiazole
4-Ethyl-2-heptyl-5-methylthiazole is found in animal foods. Aroma constituent of fried chicken and cooked beef. Aroma constituent of fried chicken and cooked beef. 4-Ethyl-2-heptyl-5-methylthiazole is found in animal foods.
4-Ethyl-2-octylthiazole
4-Ethyl-2-octylthiazole is a maillard product. Maillard product
6-Acryloyl-2-dimethylaminonaphthalene
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
3-Aminopropyl(diethoxymethyl)phosphinic acid
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists CGP 35348?is a selective, brain penetrant, centrally active GABAB receptor antagonist with an EC50 of 34 μM.?CGP 35348 shows affinity for the GABAB receptor only[1]. CGP 35348 has a potential to improve neuromuscular coordination and spatial learning in albino mouse following neonatal brain damage[2].
Esaprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
o-Aminoazotoluene
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004396 - Coloring Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1,3-dimethyl-6-morpholino-2,4(1H,3H)-pyrimidinedione
octahydro-8-methyl-6-(2-methylpropylidene )-7,8-indolizinediol
1alphaH,5alphaH-Tropan-3alpha-ylisovalerat|Isovaleriansaeure-tropan-3endo-ylester|isovaleric acid tropane-3endo-yl ester
((2E,4E)-2-methyl-hexa-2,4-dienoic acid [(1R,2S)-1-hydroxymethyl-2-methyl-butyl]-amide)|(2E,4E)-2-methyl-hexa-2,4-dienoic acid (2R,3S)-allo-isoleucinol amide
2,5-Dioxo-3-isopropyl-1H-pyrrole-1-propanoic acid methyl ester
2t,5c,8c-trimethyl-(3ar,6at,9ac)-decahydro-1-oxa-4,7,9b-triaza-phenalene|alkaloid T (Lycopodium thyoides)|Decahydro-2,5,8-trimethyl-2H-1-oxa-4,7,9b-triazaphenalene,9CI|Lycopodium thyoides base-T
N,N-dimethyl-3-hydroxy-4,5-dimethoxyphenethylamine
Acetic acid [2-methyl-3-hydroxy-4-(methoxymethyl)pyridine-5-yl]methyl ester
N-Methyl-2,2-diphenylacetamide
CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8347; ORIGINAL_PRECURSOR_SCAN_NO 8345 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8352; ORIGINAL_PRECURSOR_SCAN_NO 8350 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8357; ORIGINAL_PRECURSOR_SCAN_NO 8353 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8389; ORIGINAL_PRECURSOR_SCAN_NO 8388 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8404 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8401; ORIGINAL_PRECURSOR_SCAN_NO 8400
Benzyladenine
D006133 - Growth Substances > D010937 - Plant Growth Regulators 6-Benzylaminopurine (Benzyladenine) is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables[1]. 6-Benzylaminopurine is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables.
(8S,Z)-6-((S)-3-hydroxy-2-methylpropylidene)-8-methyloctahydroindolizin-8-ol
(7R,8R,E)-8-methyl-6-(2-methylpropylidene)octahydroindolizine-7,8-diol
6-Benzyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
1-O-tert-butyl 3-O-methyl pyrrole-1,3-dicarboxylate
4-OXO-HEXAHYDROCYCLOPENTA[C]PYRROLE-2-CARBOXYLIC ACIDTERT-BUTYL ESTER
tert-butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
2-CarboxyMethyl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
2-Amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
ETHYL 2-((ETHOXYCARBONYL)METHYL)-1H-PYRROLE-3-CARBOXYLATE
Ethyl 5-acetyl-7-oxo-5-azaspiro[2.4]heptane-6-carboxylate
3-(1,1-dimethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde
OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
1H-Inden-1-one, 2,3,3a,6,7,7a-hexahydro-3a-hydroxy-7a-methyl-5-(nitromethyl)-, (3aS,7aS)- (9CI)
Tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate
5,6-Diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
(S)-OCTAHYDROINDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
3-AMINO-3-(3-METHOXYMETHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(3-ETHOXY-4-HYDROXY-PHENYL)-PROPIONIC ACID
Lefetamine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
5-ETHYL-3-((PIPERIDIN-4-YLMETHOXY)METHYL)-1,2,4-OXADIAZOLE
(S)-2-(N-BOC-AMINO)-N-BENZYLOXY-3-HYDROXY-3-METHYLBUTYRAMIDE
O-tert-Butyl-L-threonine methyl ester hydrochloride
TERT-BUTYL (4-HYDROXYPYRIMIDIN-2-YL)METHYLCARBAMATE
tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
1-cyclopropyl-2,4-dioxopiperidine-3-carboxylic acid ethyl ester
2-(3-(CHLOROMETHYL)PIPERIDIN-1-YL)-6-METHYLPYRAZINE
tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
(S)-1-(1H-BENZIMIDAZOL-2-YL)-2-METHYLPROPYLAMINE HYDROCHLORIDE
(3E)-2-(4-BOC-PIPERAZINYL)-4-PHENYL-3-BUTENOICACID
4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINAMINE
tert-butyl 3-(2H-tetrazol-5-yl)azetidine-1-carboxylate
3-((ETHYL(ISOPROPYL)AMINO)METHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
trans-4-[4-[1-(E)-propenyl]cyclohexyl]benzonitrile
2-Acetoxymethyl-5-hydroxymethyl-4-methoxy-3-methylpyridine
1H-Benz[f]isoindole,2,3,3a,4,9,9a-hexahydro-6-methyl-2-(2-propynyl)-,trans-(9CI)
2-[(4,4-DIMETHYL-2,6-DIOXOCYCLOHEX-1-YLIDENE)ETHYL-AMINO]-ETHANOL
ETHYL N-[(5-AMINO-1-METHYL-1H-PYRAZOL-4-YL)CARBONYL]ETHANEHYDRAZONOATE
1-[(6-chloropyridin-3-yl)methyl]-4-methylpiperazine
N-(1,3-Dioxo-2,8-diazaspiro[4.5]dec-2-yl)acetamide
Methyl 8-hydroxy-2-oxo-1-azaspiro[4.5]dec-7-ene-7-carboxylate
N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine,hydrochloride
N-[(4-methylphenyl)methyl]cyclopentanamine,hydrochloride
4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
(R)-3-Amino-3-(3,5-dimethoxy-phenyl)-propionic acid
(S)-2-Amino-3-(3,4-Dimethoxy-Phenyl)-Propionic Acid
TERT-BUTYL (5-(HYDROXYMETHYL)PYRAZIN-2-YL)CARBAMATE
7,7,9,9-Tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
ETHYL 2-(5-TETRAHYDRO-1H-PYRROL-1-YL-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
(3R,7aR)-3-tert-butyl-7a-vinyl-dihy dropyrrolo[1,2-c]ox azole-1,5 (3H,6H)-dione
4-(2-Carboxy-Ethyl)-2-Methyl-1H-Pyrrole-3-Carboxylic Acid Ethyl Ester
cis-1-Methyl-6-oxo-3-aza-bicyclo[3.2.0]heptane-3-carboxylic acid tert-butyl ester
cis-5-Methyl-7-oxo-2-aza-bicyclo[3.2.0]heptane-2-carboxylic acid tert-butyl ester
4-[(4-methylphenyl)methyl]piperidine,hydrochloride
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate
3-(Dimethylamino)-3-ethoxy-2,2-difluoropropionic Acid Ethyl Ester
2-[N-methyl-4-(methylamino)-3-nitroanilino]ethanol
tert-butyl 8-oxo-5-azaspiro[2.5]octane-5-carboxylate
(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,N-(phenylmethyl)-
rac-6-Cyano-3-N-methylamino-1,2,3,4-tetrahydrocarbazole
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
tert-Butyl 2-(1-methyl-1H-pyrazol-4-yl)ethylcarbamate
4-methylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
(R)-TERT-BUTYL 4-ETHYNYL-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE
3-methyl-5-morpholin-4-ylmethyl-furan-2-carboxylic acid
(R)-1-(1H-BENZIMIDAZOL-2-YL)-2-METHYLPROPYLAMINE HYDROCHLORIDE
3-Methyl-1H-pyrrole-2,5-dicarboxylic acid diethyl ester
Ingavirin
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C26170 - Protective Agent
3-hydroxy-O,5-dimethyl-L-tyrosine
An L-tyrosine derivative that is O-methyl-L-tyrosine carrying additional hydroxy and methyl substituents at positions 3 and 5 respectively.
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)acetamide
2-Propenoic acid, 1,2,2,6,6-pentamethyl-4-piperidinyl ester
12-Hydroxyjasmonate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Tuberonate
A 5-oxo monocarboxylic acid anion that is the conjugate base of tuberonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
{2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate
5-Ethyl-5-(3-methylbutyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
(Z,1S)-5-amino-1-[3-[3-[(E)-prop-1-enyl]oxiran-2-yl]oxiran-2-yl]pent-2-en-1-ol
(E)-N-(1,5-dimethylpyrazol-4-yl)-3-phenylprop-2-en-1-imine
N-prop-2-enyl-5H-pyrimido[5,4-b]indol-3-ium-4-amine
Methyl Yellow
D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol
Tetradecenoate
A fatty acid anion containing 14 carbons and 1 double bond. Major species at pH 7.3.
3-hydroxy-O,5-dimethyl-L-tyrosine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-O-methyl-L-tyrosine; major species at pH 7.3.
N-Benzyladenine
A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
N-Phenethylbenzamide
N-Phenethylbenzamide is an active compound. N-Phenethylbenzamide can be extracted from Liriodendron tulipifera. N-Phenethylbenzamide can be used for the research of inflammatory diseases[1]. N-Phenethylbenzamide is an active compound. N-Phenethylbenzamide can be extracted from Liriodendron tulipifera. N-Phenethylbenzamide can be used for the research of inflammatory diseases[1].
(1r,3s,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2s)-2-methylbutanoate
4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoic acid
n-(1-hydroxy-3-methylpentan-2-yl)-2-methylhexa-2,4-dienimidic acid
(2e,4e,6r)-8-hydroxy-2,4,6-trimethyldeca-2,4-dienimidic acid
4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone
{"Ingredient_id": "HBIN009839","Ingredient_name": "4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone","Alias": "NA","Ingredient_formula": "C10H15N3O3","Ingredient_Smile": "CCC(C)C(C(=O)O)NC1=CC=NC(=O)N1","Ingredient_weight": "225.24 g/mol","OB_score": "27.96340161","CAS_id": "NA","SymMap_id": "SMIT03963","TCMID_id": "NA","TCMSP_id": "MOL001571","TCM_ID_id": "NA","PubChem_id": "591989","DrugBank_id": "NA"}
6-benzylaminopurine
{"Ingredient_id": "HBIN012236","Ingredient_name": "6-benzylaminopurine","Alias": "6-benzylaminopurine","Ingredient_formula": "C12H11N5","Ingredient_Smile": "C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)N=CN3","Ingredient_weight": "225.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "13877;13878","PubChem_id": "53445306","DrugBank_id": "NA"}
