Exact Mass: 203.0713014
Exact Mass Matches: 203.0713014
Found 500 metabolites which its exact mass value is equals to given mass value 203.0713014,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Indolebutyrate
3-Indolebutyric acid is an indolic tryptophan metabolite occasionally found in human urine. (PMID:7130309). 3-Indolebutyric acid is a plasma and urinary tryptophan-related metabolite related to metabolic and skin diseases. (PMID:15206797). Plasma levels of tryptophan metabolites in the umbilical vein and artery are significantly higher than those in the maternal vein. (PMID:1506727). 3-Indolebutyric acid has been shown to accelerated glucose uptake in the rat diaphragm. (PMID:6025019). 3-Indolebutyric acid is also a microbial netabolite, urinary indole-3-butyrate is produced by Clostridia sp. (PMID:6630445). CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4086; ORIGINAL_PRECURSOR_SCAN_NO 4084 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8533; ORIGINAL_PRECURSOR_SCAN_NO 8532 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; 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 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8600; ORIGINAL_PRECURSOR_SCAN_NO 8599 CONFIDENCE standard compound; INTERNAL_ID 927; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 Indole-3-butyric acid (IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products. Indole-3-butyric acid is found in common pea, potato, and corn. KEIO_ID I025 Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
Indolepyruvate
The thiamin diphosphate (ThDP)-dependent enzyme indolepyruvate decarboxylase (IPDC) is involved in the biosynthetic pathway of the phytohormone 3-indoleacetic acid and catalyzes the nonoxidative decarboxylation of 3-indolepyruvate to 3-indoleacetaldehyde and carbon dioxide. (PMID:15835904)  In addition, the enzyme was compared with the phenylpyruvate decarboxylase from Azospirillum brasilense and the indolepyruvate decarboxylase from Enterobacter cloacae. (PMID:21501384) Indole-3-pyruvate is a microbial metabolite, urinary indole-3-pyruvate is produced by Clostridium sporogenes (PMID:29168502) and Trypanasoma brucei (PMID:27856732). Indolepyruvate, also known as indolepyruvic acid or (indol-3-yl)pyruvate, belongs to indolyl carboxylic acids and derivatives class of compounds. Those are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolepyruvate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indolepyruvate can be found in a number of food items such as spelt, strawberry, gram bean, and oregon yampah, which makes indolepyruvate a potential biomarker for the consumption of these food products. Indolepyruvate exists in all eukaryotes, ranging from yeast to humans. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants KEIO_ID I002
N-acetyl-L-2-aminoadipate(2-)
N-acetyl-L-2-aminoadipate(2-) is also known as N-Acetyl-L-2-aminoadipic acid. N-acetyl-L-2-aminoadipate(2-) is considered to be soluble (in water) and acidic
Methsuximide
C12H13NO2 (203.09462380000002)
Methsuximide is only found in individuals that have used or taken this drug. It is an anticonvulsant medication. It is sold by Pfizer under the name Petinutin. [Wikipedia]Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the "low-voltage activated (LVA)" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
1-Isothiocyanato-7-(methylthio)heptane
1-Isothiocyanato-7-(methylthio)heptane is found in brassicas. Flavour compound of Japanese horseradish (Wasabia japonica). Flavour compound of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-7-(methylthio)heptane is found in brassicas.
Isosalsolidine
C12H13NO2 (203.09462380000002)
Isosalsolidine is found in herbs and spices. Isosalsolidine is a trace constituent in seeds of Nigella sativa (black cumin). Trace constituent in seeds of Nigella sativa (black cumin). Isosalsolidine is found in herbs and spices.
Glutaminylglycine
Glutaminylglycine is a dipeptide composed of phenylalanine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Alanylasparagine
Alanylasparagine is a dipeptide composed of alanine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Asparaginylalanine
Asparaginylalanine is a dipeptide composed of asparagine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glycyl-Glutamine
Glycyl-Glutamine is a dipeptide composed of glycine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glycyl-Gamma-glutamate
Glycyl-Gamma-glutamate is a dipeptide composed of glycine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one
C12H13NO2 (203.09462380000002)
Proline-derived Maillard product. Proline-derived Maillard product
N-Acetyl-S-allylcysteine
S-Allylmercapturic acid
Methyl indole-3-propanoate
C12H13NO2 (203.09462380000002)
Methyl indole-3-propanoate, also known as methyl indole-3-propionate, belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Methyl indole-3-propanoate is a catabolite of tryptophan converted by the gut microbiota. After absorption through the intestinal epithelium, tryptophan catabolites enter the bloodstream and are later excreted in the urine (PMID: 28916042).
(S)-Norfenfluramine
C10H12F3N (203.09217879999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
S-Allylmercapturic acid
N-acetyl-S-allylcysteine is a N-acyl-L-amino acid.
NORFENFLURAMINE
C10H12F3N (203.09217879999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3468 CONFIDENCE standard compound; INTERNAL_ID 2115
1-isopropyl-5-methylindoline-2,3-dione
C12H13NO2 (203.09462380000002)
7-(Ethylamino)-4-methylcoumarin
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 2493
3,4,7-trimethylisoquinoline-6,8-diol
C12H13NO2 (203.09462380000002)
Ethyl 3-indoleacetate
C12H13NO2 (203.09462380000002)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
oxedrine HCl
Synephrine (Oxedrine) hydrochloride, an alkaloid, is an α-adrenergic and β-adrenergic agonist derived from the Citrus aurantium. Synephrine hydrochloride is a sympathomimetic compound and can be used for weight loss[1][2]. Synephrine (Oxedrine) hydrochloride, an alkaloid, is an α-adrenergic and β-adrenergic agonist derived from the Citrus aurantium. Synephrine hydrochloride is a sympathomimetic compound and can be used for weight loss[1][2]. Synephrine (Oxedrine) hydrochloride, an alkaloid, is an α-adrenergic and β-adrenergic agonist derived from the Citrus aurantium. Synephrine hydrochloride is a sympathomimetic compound and can be used for weight loss[1][2].
Indolebutyrate
3-Indolebutyric acid is an indolic tryptophan metabolite occasionally found in human urine. (PMID:7130309). 3-Indolebutyric acid is a plasma and urinary tryptophan-related metabolite related to metabolic and skin diseases. (PMID:15206797). Plasma levels of tryptophan metabolites in the umbilical vein and artery are significantly higher than those in the maternal vein. (PMID:1506727). 3-Indolebutyric acid has been shown to accelerated glucose uptake in the rat diaphragm. (PMID:6025019). 3-Indolebutyric acid is also a microbial netabolite, urinary indole-3-butyrate is produced by Clostridia sp. (PMID:6630445). Indole-3-butyric acid is a indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. It has a role as a plant hormone, a plant metabolite and an auxin. It is functionally related to a butyric acid. It is a conjugate acid of an indole-3-butyrate. Indole-3-butyric acid is a natural product found in Cocos nucifera, Nymphaea alba, and other organisms with data available. Indole-3-butyric acid (IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products. Indole-3-butyric acid is found in common pea, potato, and corn. A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
Chininsaure
Quininic acid is a natural product found in Abutilon theophrasti with data available. Quininic acid, purified from Eucalyptus globulus, cinchona bark, and other plant products, is the most abundant organic acid[1].
METHSUXIMIDE
C12H13NO2 (203.09462380000002)
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3285 EAWAG_UCHEM_ID 3285; CONFIDENCE standard compound
Indole-3-pyrubate
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants
5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 8024
FEN_204.0996_12.2
C10H12F3N (203.09217879999997)
CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 601
3-indolebutyric acid
C12H13NO2 (203.09462380000002)
Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
1-Isopropyl-5-methyl-1H-indole-2,3-dione
C12H13NO2 (203.09462380000002)
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 15
4-methyl-7-ethylaminocoumarin
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 65
N-Butylphthalimide
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4069 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8524; ORIGINAL_PRECURSOR_SCAN_NO 8522 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8533; ORIGINAL_PRECURSOR_SCAN_NO 8532 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8600; ORIGINAL_PRECURSOR_SCAN_NO 8599 CONFIDENCE standard compound; INTERNAL_ID 931; DATASET 20200303_ENTACT_RP_MIX508; 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
7-(Dimethylamino)-4-methylcoumarin
C12H13NO2 (203.09462380000002)
CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4038; ORIGINAL_PRECURSOR_SCAN_NO 4035 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4063; ORIGINAL_PRECURSOR_SCAN_NO 4060 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4032 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4046; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4061; ORIGINAL_PRECURSOR_SCAN_NO 4058 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4071; ORIGINAL_PRECURSOR_SCAN_NO 4069 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8504; ORIGINAL_PRECURSOR_SCAN_NO 8502 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8458 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8553; ORIGINAL_PRECURSOR_SCAN_NO 8549 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8551; ORIGINAL_PRECURSOR_SCAN_NO 8548 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8517; ORIGINAL_PRECURSOR_SCAN_NO 8512 CONFIDENCE standard compound; INTERNAL_ID 1145; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8398; ORIGINAL_PRECURSOR_SCAN_NO 8396
Ala-asn
A dipeptide composed of L-alanine and L-asparagine units joined by a peptide linkage.
GLN-Gly
A dipeptide formed from L-glutamine and glycine residues.
Gly-GLN
A dipeptide formed from glycine and L-glutamine residues.
5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-1-pyrindin-7-one
C12H13NO2 (203.09462380000002)
3-Methoxytyramine hydrochloride
3-Methoxytyramine hydrochloride is an inactive metabolite of dopamine which can activate trace amine associated receptor 1 (TAAR1).
Ethyl 2-methyl-1H-indole-3-carboxylate
C12H13NO2 (203.09462380000002)
N-(8-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
C12H13NO2 (203.09462380000002)
N-[3-(Trifluoromethyl)benzyl]ethylamine
C10H12F3N (203.09217879999997)
1H-Imidazole-5-carboxylicacid,4-amino-1-phenyl-(9CI)
5(4H)-Oxazolone,4-(1-methylethyl)-2-phenyl-
C12H13NO2 (203.09462380000002)
Phenylephrine hydrochloride
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 D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents (R)-(-)-Phenylephrine hydrochloride is a selective α1-adrenoceptor agonist with pKis of 5.86, 4.87 and 4.70 for α1D, α1B and α1A receptors respectively.
[2-(3,4-DIMETHYL-PHENYL)-OXAZOL-4-YL]-METHANOL
C12H13NO2 (203.09462380000002)
6-METHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINECARBOXYLIC ACID
3-(1H-indol-3-yl)-2-methylpropanoic acid
C12H13NO2 (203.09462380000002)
7-Trifluoromethyl-3,4-dihydro-2H-benzo[1,4]oxazine
(3R,7AS)-3-PHENYLTETRAHYDROPYRROLO[1,2-C]OXAZOL-5(3H)-ONE
C12H13NO2 (203.09462380000002)
3-[4-(Trifluoromethyl)phenyl]-1-propanamine
C10H12F3N (203.09217879999997)
1H-Indole-3-carboxylic acid, 6-Methyl-, ethyl ester
C12H13NO2 (203.09462380000002)
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
Methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-amine,hydrochloride
Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
C12H13NO2 (203.09462380000002)
1-Propanone,3-(dimethylamino)-1-(2-furanyl)-, hydrochloride (1:1)
(3-Amino-4-methoxyphenyl)boronic acid hydrochloride
(R)-N-BOC-5-AMINO-3-HYDROXY-PENTANOICACIDETHYLESTER
C10H12F3N (203.09217879999997)
2-METHYL-1,3,7-TRIAZASPIRO[4.5]DEC-1-EN-4-ONE HYDROCHLORIDE
(1R)-1-(3-Fluoro-4-methylphenyl)-1-propanamine hydrochloride (1:1 )
(1R)-1-(4-Fluorophenyl)-1-butanamine hydrochloride (1:1)
1H-Imidazole-4-carboxylicacid,1-(phenylamino)-(9CI)
2-(1-Aminoethyl)-4-hydroxybenzyl alcohol hydrochloride
1-(6-methylpyridin-2-yl)imidazole-4-carboxylic acid
5-METHYL-2-PYRIDIN-3-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
n-methyldopamine hydrochloride
N-Methyldopamine hydrochloride is a precursor of adrenaline in the adrenal medulla. N-Methyldopamine hydrochloride is a modification of the dopamine (DA), and retains agonist activity at the DA1 receptor. N-Methyldopamine hydrochloride remains capable of universal surface coating and secondary reactions using the surface catechols. N-Methyldopamine hydrochloride can be used for heart failure research[1][2][3].
2-methyl-4-oxo-1,4-dihydro-quinoline-6-carboxylic acid
4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol,hydrochloride
1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone
(R)-1-(4-Fluoro-2-Methylphenyl)propan-1-amine hydrochloride
(1S)-1-(3-fluoro-4-methylphenyl)propan-1-amine,hydrochloride
(1S)-1-(4-fluoro-3-methylphenyl)propan-1-amine,hydrochloride
(1R)-1-(4-methylsulfanylphenyl)ethanamine,hydrochloride
N,N-DIMETHYL-2,5-DIMETHYLIMIDAZOLE-1-SULFONAMIDE
C7H13N3O2S (203.07284380000002)
(S)-6-FLUOROCHROMAN-4-AMINE HYDROCHLORIDE
C9H11ClFNO (203.05131579999997)
6-FLUOROCHROMAN-4-AMINE HYDROCHLORIDE
C9H11ClFNO (203.05131579999997)
2-amino-6-fluoro-2,3-dihydro-1H-inden-1-ol,hydrochloride
C9H11ClFNO (203.05131579999997)
1-AZABICYCLO[2.2.2]OCT-2-ENE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
(R)-1-(3-TRIFLUOROMETHYLPHENYL)-2-AMINOPROPANE
C10H12F3N (203.09217879999997)
5-Methyl-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid
5-Methyl-1-phenyl-1H-[1,2,4]triazole-3-carboxylic acid
4-methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid
(5-methyl-3-phenyl-1,2-oxazol-4-yl)boronic acid
C10H10BNO3 (203.07537000000002)
Piperidine, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-, hydrochloride (1:1)
4-HYDROXY-QUINOLINE-8-CARBOXYLIC ACID METHYL ESTER
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine,hydrochloride
N-(Phosphonomethyl)glycine diammonium salt
C3H14N3O5P (203.06710439999998)
3-(4-Fluorophenoxy)azetidine hydrochloride (1:1)
C9H11ClFNO (203.05131579999997)
(1S)-1-(3-fluoro-2-methylphenyl)propan-1-amine,hydrochloride
(R)-7-FLUOROCHROMAN-4-AMINE HYDROCHLORIDE
C9H11ClFNO (203.05131579999997)
5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
C11H13NOSi (203.07663680000002)
3-CYANO-2-OXO-3-PHENYL-PROPIONIC ACID METHYL ESTER
1-(Pyridin-4-ylmethyl)-1H-pyrazol-4-ylboronic acid
C9H10BN3O2 (203.08660300000003)
8-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
1-Naphthalenecarboxylicacid,4-amino-3-hydroxy-(9CI)
Methyl 1-oxo-1,2-dihydroisoquinoline-7-carboxylate
Thieno[2,3-b]pyridine-3-carbonitrile, 2-amino-4,6-dimethyl- (9CI)
4-Quinolinecarboxylicacid,3-hydroxy-,methylester(9CI)
(2E)-3-(5-Amino-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid
2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
(1S)-1-(4-methylsulfanylphenyl)ethanamine,hydrochloride
2-METHYL-5-PHENYL-2H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
6-Fluoro-4-chromanamine hydrochloride (1:1)
C9H11ClFNO (203.05131579999997)
6-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE HYDROCHLORIDE
2-amino-5-isopropylbenzotrifluoride
C10H12F3N (203.09217879999997)
N-Ethyl-4-(trifluoromethyl)benzylamine
C10H12F3N (203.09217879999997)
2-[3-(Trifluoromethyl)phenyl]-2-propanamine
C10H12F3N (203.09217879999997)
6-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
(S)-N-BOC-AZETIDINE-2-CARBOXYLICACIDMETHYLESTER
C10H12F3N (203.09217879999997)
trans-4-Trifluoromethyl-cyclohexylamine hydrochloride
4-Quinolinecarboxylicacid, 1,2-dihydro-3-methyl-2-oxo-
7-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
1-(4-methylphenyl)-1-(2-thienyl)methanamine(SALTDATA: HCl)
3-Quinolinecarboxylic acid, 1,4-dihydro-8-methyl-4-oxo-
(1-(PYRIDIN-3-YLMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID
C9H10BN3O2 (203.08660300000003)
(S)-1-(4-(TRIFLUOROMETHYL)PHENYL)PROPAN-1-AMINE
C10H12F3N (203.09217879999997)
2-(Carbamoyloxymethyl)-1-methyl-d3-5-nitro-imidazole
(R)-1-(4-Fluorophenyl)-2-methylpropan-1-amine hydrochloride
(S)-1-(4-Fluorophenyl)-2-methylpropan-1-amine hydrochloride
2-Naphthalenecarboxylicacid,6-amino-4-hydroxy-(9CI)
ethyl 4-fluorobenzenecarboximidate,hydrochloride
C9H11ClFNO (203.05131579999997)
METHYL 1-OXO-1,2-DIHYDROISOQUINOLINE-4-CARBOXYLATE
2-METHYL-4-OXO-1,4-DIHYDRO-QUINOLINE-8-CARBOXYLIC ACID
5-METHYL-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1-Phenyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
7-FLUOROCHROMAN-4-AMINE HYDROCHLORIDE
C9H11ClFNO (203.05131579999997)
Fluorofenidone
Fluorofenidone (AKF-PD), an analogue of AMR69, shows equivalent antifibrotic activity, lower toxicity and longer half-life. Fluorofenidone (AKF-PD) attenuates the progression of renal interstitial fibrosis partly by suppressing NADPH oxidase and extracellular matrix (ECM) deposition via the PI3K/Akt signalling pathway[1][2].
N,N,1,2-tetramethyl-1H-imidazole-4-sulfonamide
C7H13N3O2S (203.07284380000002)
(S)-Norfenfluramine
C10H12F3N (203.09217879999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
2-Acetamidoglucal
A glycal derivative that is 1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol substituted by an acetylamino group at position 2.
Tryptophanate
An alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group.
Neo-synephrine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
N-(ethoxycarbonyl)-4-hydroxyproline
A 4-hydroxyproline substituted at N-1 by an ethoxycarbonyl group.
N-(methoxyacetyl)-4-hydroxyproline
A 4-hydroxyproline substituted at N-1 by an methoxyacetyl group.
(2S)-2-azaniumyl-5-[(carboxylatomethyl)amino]-5-oxopentanoate
C7H11N2O5- (203.06679359999998)
N2-Acetyl-L-aminoadipate
An N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent.
Ala-Asp(1-)
C7H11N2O5 (203.06679359999998)
A peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp.
Gly-Gly-Ala
A tripeptide composed of glycine, glycine and L-alanine residues joined in sequence.
gamma-Glu-Gly(1-)
C7H11N2O5 (203.06679359999998)
A peptide anion that is the conjugate base of gamma-Glu-Gly, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
3-(indol-3-yl)Pyruvic acid
A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum
D-Ala-Gly-Gly
A tripeptide composed of one D-alanine and two glycine residues joined in sequence.
Gly-Glu(1-)
C7H11N2O5 (203.06679359999998)
A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group.
Gly-Gln zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Gln.