Exact Mass: 213.1001
Exact Mass Matches: 213.1001
Found 150 metabolites which its exact mass value is equals to given mass value 213.1001,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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
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
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].
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-(1-Hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
2-(Cyclopropylcarbonyl)-3-(2-pyridylamino)acrylonitrile
1-(2,5-Dihydro-3-methylfuran-2-yl)-3-hydroxy-5-methoxypyrrolidine-2-one
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
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].
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
Clasto-Lactacystin β-lactone
(R)-2-Methyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester
4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl
(R)-2-Amino-5-methoxy-1,2,3,4-tetrahydronaphthalene hydrochloride
4-tert-butylpyridine-2-carboximidamide,hydrochloride
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
7-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE HYDROCHLORIDE
1H-Imidazole-2-carbonitrile,4-(4-ethoxyphenyl)-(9CI)
1H-Pyrazole-4-carbonitrile,1-(2-hydroxyethyl)-5-phenyl-
5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine,hydrochloride
3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY
ethyl 4-methoxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate
4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)BENZONITRILE
(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
2-(Methylamino)-1-(p-tolyl)propan-1-one hydrochloride
N1-[(6-Chloro-3-pyridinyl)methyl]-2-methyl-1,2-propanediamine
(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].
(R)-7-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
N-PHENYL-TETRAHYDRO-2H-PYRAN-4-AMINE HYDROCHLORIDE
3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine
(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
5,6,7,8-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)
4-Piperidinamine, 1-(2-pyridinyl)-, hydrochloride (1:1)
(R)-Cyclopropyl(4-methoxyphenyl)methanamine hydrochloride
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
1-(4-CHLORO-PHENYL)-3-(3-HYDROXY-PHENYL)-PROPENONE
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].
(1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid
5-(Dimethylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
3-Methyl-4-(7-methyl-2-indolizinyl)-1,2,5-oxadiazole
(2Z)-2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile
(1r,5s)-3-hydroxy-1-(1-hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-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"}
