Exact Mass: 213.1001
Exact Mass Matches: 213.1001
Found 500 metabolites which its exact mass value is equals to given mass value 213.1001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Simetryn
CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7531; ORIGINAL_PRECURSOR_SCAN_NO 7528 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7493; ORIGINAL_PRECURSOR_SCAN_NO 7491 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7430; ORIGINAL_PRECURSOR_SCAN_NO 7428 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7547; ORIGINAL_PRECURSOR_SCAN_NO 7544 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7469; ORIGINAL_PRECURSOR_SCAN_NO 7467 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7529; ORIGINAL_PRECURSOR_SCAN_NO 7525 CONFIDENCE standard compound; INTERNAL_ID 2605 CONFIDENCE standard compound; INTERNAL_ID 8404 CONFIDENCE standard compound; INTERNAL_ID 4021
Phenazopyridine
Phenazopyridine is only found in individuals that have used or taken this drug. It is a local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. [PubChem]Phenazopyridines mechanism of action is not well known, and only basic information on its interaction with the body is available. It is known that the chemical has a direct topical analgesic effect on the mucosa lining of the urinary tract. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals KEIO_ID P036; [MS2] KO009187 KEIO_ID P036
Octhilinone
CONFIDENCE standard compound; EAWAG_UCHEM_ID 300 CONFIDENCE standard compound; INTERNAL_ID 2864 CONFIDENCE standard compound; INTERNAL_ID 8210 CONFIDENCE standard compound; INTERNAL_ID 8796
2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline
2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is found in animal foods. 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is a food-related mutagen isolated from cooked meats (especially grilled/barbecued Food-related mutagen isolated from cooked meats (especies grilled/barbecued). 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is found in animal foods. CONFIDENCE standard compound; INTERNAL_ID 2292 CONFIDENCE standard compound; INTERNAL_ID 6 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Digenin
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2]. Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2].
3-oxo-C6-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 208
Benzyl nicotinate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Same as: D01419
N-phenylanthranilic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Cetoniacytone A
A member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group.
Salicylanilide
CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8889 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4519; ORIGINAL_PRECURSOR_SCAN_NO 4518 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4485; ORIGINAL_PRECURSOR_SCAN_NO 4483 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4511; ORIGINAL_PRECURSOR_SCAN_NO 4507 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8917; ORIGINAL_PRECURSOR_SCAN_NO 8912 ORIGINAL_PRECURSOR_SCAN_NO 4498; CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4478; ORIGINAL_PRECURSOR_SCAN_NO 4476 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4461; ORIGINAL_PRECURSOR_SCAN_NO 4458 C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
CLORPRENALINE
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Clorprenaline is a potent agonist of β2-adrenergic. Clorprenaline promotes animal muscular mass growth and decreases fat accumulation. Clorprenaline is a potential new lean meat-boosting feed additive[1].
Droxidopa
Droxidopa is a precursor of noradrenaline that is used in the treatment of Parkinsonism. It is approved for use in Japan and is currently in trials in the U.S. The racaemic form (dl-threo-3,4-dihydroxyphenylserine) has also been used, and has been investigated in the treatment of orthostatic hypotension. There is a deficit of noradrenaline as well as of dopamine in Parkinsons disease and it has been proposed that this underlies the sudden transient freezing seen usually in advanced disease. Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
2-(4-Methyl-5-thiazolyl)ethyl butanoate
2-(4-Methyl-5-thiazolyl)ethyl butanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-(4-Methyl-5-thiazolyl)ethyl isobutyrate
2-(4-Methyl-5-thiazolyl)ethyl isobutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
4-(Phenylamino)benzoic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
beta-L-Dioxolane-cytidine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000970 - Antineoplastic Agents
Clorprenaline
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Clorprenaline is a potent agonist of β2-adrenergic. Clorprenaline promotes animal muscular mass growth and decreases fat accumulation. Clorprenaline is a potential new lean meat-boosting feed additive[1].
4-((2-Nitro-1H-imidazol-1-yl)methoxy)-2-buten-1-ol
4-(1-Hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
N-BUTYLBENZENESULFONAMIDE
A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. D009676 - Noxae > D009498 - Neurotoxins D010968 - Plasticizers CONFIDENCE standard compound; INTERNAL_ID 2299 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1008 CONFIDENCE standard compound; INTERNAL_ID 8789 CONFIDENCE standard compound; INTERNAL_ID 8234
2-(Cyclopropylcarbonyl)-3-(2-pyridylamino)acrylonitrile
4-tert-Butylbenzenesulfonamide
CONFIDENCE standard compound; INTERNAL_ID 2522
1-(2,5-Dihydro-3-methylfuran-2-yl)-3-hydroxy-5-methoxypyrrolidine-2-one
cassiarin A
An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.
4-Ethoxy-3,3a,4,5,7,7a-hexahydro-3a-hydroxy-1H-indole-2,6-dione
(3aR)-4,4-Dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrol-1c-carbonsaeure|(3aR)-4,4-dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrole-1c-carboxylic acid|kainic acid lactone
2-Decene-4,6,8-triynoic acid-2-Methylpropylamide|trans-Dehydromatricariasaeure-isobutylamid
Bruceolline E
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
Dibenzylhydroxylamine
CONFIDENCE standard compound; INTERNAL_ID 757; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9515; ORIGINAL_PRECURSOR_SCAN_NO 9514 CONFIDENCE standard compound; INTERNAL_ID 757; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9537; ORIGINAL_PRECURSOR_SCAN_NO 9536 CONFIDENCE standard compound; INTERNAL_ID 757; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9533; ORIGINAL_PRECURSOR_SCAN_NO 9532 CONFIDENCE standard compound; INTERNAL_ID 757; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9532; ORIGINAL_PRECURSOR_SCAN_NO 9531 CONFIDENCE standard compound; INTERNAL_ID 757; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9545; ORIGINAL_PRECURSOR_SCAN_NO 9543 CONFIDENCE standard compound; INTERNAL_ID 757; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9559; ORIGINAL_PRECURSOR_SCAN_NO 9557
quipazine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D012102 - Reproductive Control Agents > D010120 - Oxytocics
Kainic acid
Kainic acid is a dicarboxylic acid, a pyrrolidinecarboxylic acid, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It has a role as an antinematodal drug and an excitatory amino acid agonist. It is a conjugate acid of a kainate(1-). (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2]. Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2].
Terbuthylazine-TP CSAA036479 (LM2)
CONFIDENCE standard compound; UCHEM_ID 4176 UCHEM_ID 4176; CONFIDENCE standard compound
N-(3-Oxohexanoyl)-L-homoserine lactone
N-(3-Oxohexanoyl)-L-homoserine lactone (3-oxo-C6-HSL) is an important signaling molecule used by many bacteria in a process known as quorum sensing (QS). This process allows bacteria to communicate with each other and coordinate their behavior based on population density. Here are some of the key biological functions of 3-oxo-C6-HSL: 1. **Quorum Sensing Signaling**: As a quorum sensing autoinducer, 3-oxo-C6-HSL plays a critical role in regulating gene expression in response to changes in cell population density. When the concentration of 3-oxo-C6-HSL reaches a certain threshold, it binds to specific receptors, triggering a cascade of cellular responses. 2. **Regulation of Virulence Factors**: In many pathogenic bacteria, 3-oxo-C6-HSL is involved in the regulation of virulence factors, which are molecules or proteins that enhance the bacterium's ability to cause disease. By controlling the expression of these factors, 3-oxo-C6-HSL can significantly influence the pathogenicity of the bacteria. 3. **Biofilm Formation and Regulation**: Biofilms are structured communities of bacteria that are often encased in a self-produced matrix. 3-oxo-C6-HSL can play a role in the initiation, development, and maintenance of biofilms. Biofilms are associated with increased resistance to antibiotics and immune system evasion, making them a significant concern in medical and industrial settings. 4. **Cell Motility and Swarm Behavior**: In some bacteria, 3-oxo-C6-HSL is involved in regulating cell motility, which includes the ability to move towards or away from certain stimuli. This can affect the bacteria's ability to colonize new areas or to form biofilms. 5. **Symbiotic Interactions**: 3-oxo-C6-HSL is not only important in pathogenic bacteria but also in beneficial interactions, such as those found in nitrogen-fixing bacteria or in symbiotic relationships with plants and animals. Understanding the role of 3-oxo-C6-HSL and other quorum sensing molecules is crucial for developing new strategies to control bacterial infections, manage biofilm-related issues, and potentially exploit these systems for beneficial purposes.
phenazopyridine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7480; ORIGINAL_PRECURSOR_SCAN_NO 7478 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7493; ORIGINAL_PRECURSOR_SCAN_NO 7491 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7521; ORIGINAL_PRECURSOR_SCAN_NO 7518 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7529; ORIGINAL_PRECURSOR_SCAN_NO 7525 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7547; ORIGINAL_PRECURSOR_SCAN_NO 7544 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7531; ORIGINAL_PRECURSOR_SCAN_NO 7528
4-Methoxy-2-Methyl Diphenylamine
CONFIDENCE standard compound; INTERNAL_ID 1099; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9577; ORIGINAL_PRECURSOR_SCAN_NO 9576 CONFIDENCE standard compound; INTERNAL_ID 1099; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9603; ORIGINAL_PRECURSOR_SCAN_NO 9601 CONFIDENCE standard compound; INTERNAL_ID 1099; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9634; ORIGINAL_PRECURSOR_SCAN_NO 9633 CONFIDENCE standard compound; INTERNAL_ID 1099; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9532; ORIGINAL_PRECURSOR_SCAN_NO 9531 CONFIDENCE standard compound; INTERNAL_ID 1099; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9620; ORIGINAL_PRECURSOR_SCAN_NO 9618 CONFIDENCE standard compound; INTERNAL_ID 1099; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9655; ORIGINAL_PRECURSOR_SCAN_NO 9654
Clasto-Lactacystin β-lactone
L-DOPS
Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
(R)-2-Methyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester
4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl
2,3-Dihydro-1H-cyclopenta(b)quinoline-9-carboxylic acid
(R)-2-Amino-5-methoxy-1,2,3,4-tetrahydronaphthalene hydrochloride
4-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene
6-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDAZOLE
tert-butyl 2-amino-5-methylthiophene-3-carboxylate
5-AMINO-1H-PYRAZOLE-1,3-DICARBOXYLIC ACID ETHYL METHYL ESTER
N-HYDROXY-3-(2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANIMIDAMIDE
1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-tert-butylpyridine-2-carboximidamide,hydrochloride
methyl 2-amino-5-tert-butylthiophene-3-carboxylate
4-(2,3-DIHYDRO-1H-INDOL-1-YL)-1,3,5-TRIAZIN-2-AMINE
Phenmetrazine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
(S)-1-Boc-2,3-dihydro-1H-pyrrole-2-carboxylic acid
3-AMINO-3-(3-FLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINOMETHYL-THIOPHENE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
7-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
1H-Imidazole-2-carbonitrile,4-(4-ethoxyphenyl)-(9CI)
ethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate
Methyl 4-(tert-butyl)-2-methylthiazole-5-carboxylate
1H-Pyrazole-4-carbonitrile,1-(2-hydroxyethyl)-5-phenyl-
1-(2-Pyridinyl)-2-piperazinone hydrochloride (1:1)
5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine,hydrochloride
(1S,4S)-(+)-2-(3-CHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANEDIHYDROCHLORIDE
droxidopa
A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
Oxdralazine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY
ethyl 4-methoxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate
4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)BENZONITRILE
(1s,2s)-(+)-2-amino-1-[4-(methylthio)phenyl]-1,3-propanediol
4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
2,5-DIMETHYL-1-(O-TOLYL)-1H-PYRROLE-3-CARBALDEHYDE
(S)-Cyclopropyl(3-methoxyphenyl)methanamine hydrochloride
(S)-Cyclopropyl(4-Methoxyphenyl)Methanamine hydrochloride
6-tert-butyl-4-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one
4-(1-Aminocyclopropyl)phenylboronic acid hydrochloride
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole
2-O-benzyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate
2-(Methylamino)-1-(p-tolyl)propan-1-one hydrochloride
N1-[(6-Chloro-3-pyridinyl)methyl]-2-methyl-1,2-propanediamine
(2S)-2-amino-3-[1-(carboxymethyl)imidazol-4-yl]propanoic acid
(2R)-8-Methoxy-1,2,3,4-tetrahydro-2-naphthalenamine hydrochloride (1:1)
(2S)-8-Methoxy-1,2,3,4-tetrahydro-2-naphthalenamine hydrochloride (1:1)
(S)-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
5-HT1A modulator 2 hydrochloride
5-HT1A modulator 2 hydrochloride, a derivative of 8-OH-DPAT (HY-112061), is a modulator of 5-HT1A with a Ki of 53 nM for 5-HT1A binding[1].
ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOHEXANECARBOXYLATE
(R)-7-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
2-ACETYLAMINO-2-CYANO-N-(3-METHOXY-PROPYL)-ACETAMIDE
4-Thiazolecarboxylicacid,2-(2-methylpropyl)-,ethylester(9CI)
4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
N-PHENYL-TETRAHYDRO-2H-PYRAN-4-AMINE HYDROCHLORIDE
3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine
3-(1-METHYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-PYRROLO[2,3-B]PYRIDINE
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbaldehyde
(S)-Cyclopropyl(2-Methoxyphenyl)Methanamine hydrochloride
5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
8-METHOXY-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE HYDROCHLORIDE
2-amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-7-carbaldehyde
2-Pyridinylboronic acid tri(hydroxymethyl)ethane ester lithium salt
tert-butyl N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamate
5,6,7,8-TETRAHYDRO-4-METHYL-2-QUINAZOLINEMETHANAMINEHYDROCHLORIDE
PluriSln 1
PluriSIn 1 (NSC 14613) is an inhibitor of stearoyl-coA desaturase (SCD), and is a pluripotent cell-specific inhibitor.
1H-2-Benzopyran-1-methanamine,3,4-dihydro-N-methyl-, hydrochloride (1:1)
1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxylic Acid
1-butyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium,thiocyanate
9-methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4- one
(2S)-2-(2-CHLORO-6-FLUORO-3-METHYLPHENYL)PYRROLIDINE
(R)-1-(2-Chloro-6-methyl-pyrimidin-4-yl)-pyrrolidin-3-ol
2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid
6-(dimethoxymethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
1-(3-fluorophenyl)-2-((2-hydroxyethyl)amino)propan-1-ol
5,6,7,8,9,10-HEXAHYDRO-CYCLOHEPTA[B]QUINOLIN-11-ONE
ETHYL 1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLATE
4-Piperidinamine, 1-(2-pyridinyl)-, hydrochloride (1:1)
(R)-Cyclopropyl(4-methoxyphenyl)methanamine hydrochloride
5-(4-TRIFLUOROMETHYL-PHENYL)-3,4-DIHYDRO2H-PYRROLE
N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
6-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylamine hydrochloride
1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACETONITRILE
3-METHYL-4-NITRO-1-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde
METHYL 5-(2-METHOXY-2-OXOETHYL)-2-METHYLOXAZOLE-4-CARBOXYLATE
1-(4-CHLORO-PHENYL)-3-(3-HYDROXY-PHENYL)-PROPENONE
4-((2-Nitro-1H-imidazol-1-yl)methoxy)-2-buten-1-ol
2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
6-Methyl-2-(phenylazo)-3-pyridinol
SIB-1757 is a highly selective and noncompetitive antagonist of mGlu5 receptor with an IC50 of 0.4 μM[1].
Duazomycin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid ethyl ester
Troxacitabine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000970 - Antineoplastic Agents
N-phenylanthranilic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Benzyl nicotinate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Same as: D01419
Alanine, N-(6-amino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)-2-methyl-
2-(Dihydroxyamino)-3-(4-hydroxyphenyl)propanoic acid
(4R,5S)-dethiobiotin(1-)
A monocarboxylic acid anion that is the conjugate base of (4R,5S)-dethiobiotin, arising from the deprotonation of the carboxy group. Major species at pH 7.3.
(1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid
(2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
5-(Dimethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
N-Diazoacetylnorleucine methyl ester
A diazonium betaine obtained by the deprotonation of the hydroxy group of (Z)-2-hydroxy-2-{[(2S)-1-methoxy-1-oxohexan-2-yl]amino}ethenediazonium.
3-Methyl-4-(7-methyl-2-indolizinyl)-1,2,5-oxadiazole
(2Z)-2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile
Fenamic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
6-hydroxy-L-dopa
An L-alpha-amino acid that is L-dopa carrying an additional hydroxy substituent at position 6.
Quipazine
Quipazine is a 5-HT agonist with a Ki value of 1.4 nM for displaces [3H]GR65630 from 5-HT3R in rat. Quipazine shows antiviral activity against SARS-CoV-2 with an EC50 of 31.64 μM. Quipazine behaves as a 5-HT3R agonist in peripheral models. Quipazine can be used for neurological disease research[1][2][3][4].
(1r,5s)-3-hydroxy-1-(1-hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
(2e)-n-(2-methylpropyl)dec-2-en-4,6,8-triynimidic acid
3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),7,9-pentaen-11-one
6-methoxy-2-methyl-β-carbolinium(cation)
{"Ingredient_id": "HBIN012504","Ingredient_name": "6-methoxy-2-methyl-\u03b2-carbolinium(cation)","Alias": "NA","Ingredient_formula": "C13H13N2O+","Ingredient_Smile": "C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
