Exact Mass: 227.1521
Exact Mass Matches: 227.1521
Found 303 metabolites which its exact mass value is equals to given mass value 227.1521,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ametryn
CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8126; ORIGINAL_PRECURSOR_SCAN_NO 8125 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8114; ORIGINAL_PRECURSOR_SCAN_NO 8112 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8091 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8130; ORIGINAL_PRECURSOR_SCAN_NO 8128 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8073; ORIGINAL_PRECURSOR_SCAN_NO 8071 CONFIDENCE standard compound; INTERNAL_ID 231; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8097; ORIGINAL_PRECURSOR_SCAN_NO 8096 CONFIDENCE standard compound; INTERNAL_ID 4048 CONFIDENCE standard compound; INTERNAL_ID 8428 CONFIDENCE standard compound; INTERNAL_ID 2613 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline
Pyrolysis production from creatine, threonine and glucose in cooked food. Pyrolysis produced from creatine, threonine and glucose in cooked food. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline is found in animal foods. 2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline is isolated from beef extract. Isolated from beef extract. 2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline is found in animal foods.
2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline
N-Octanoyl-L-homoserine lactone
N-(2-oxooxolan-3-yl)octanimidic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Based on a literature review very few articles have been published on N-(2-oxooxolan-3-yl)octanimidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Octanoyl-l-homoserine lactone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Octanoyl-L-homoserine lactone is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. N-Octanoyl-L-homoserine lactone (OHL) 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 OHL: 1. **Quorum Sensing Signaling**: As a quorum sensing autoinducer, OHL plays a critical role in regulating gene expression in response to changes in cell population density. When the concentration of OHL reaches a certain threshold, it binds to specific receptors, triggering a cascade of cellular responses. 2. **Regulation of Virulence Factors**: In many pathogenic bacteria, OHL 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, OHL 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. OHL 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, OHL 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**: OHL 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 OHL 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.
(6R,8S)-(+)-herbindole B|(6R,8S)-herbindole B|herbindole B
2-(1,2-pentenyl)-4-methoxyquinoline|4-Methoxy-2-(1-pentenyl)quinoline
6-(2-Hydroxybutyl)-2-(2-hydroxypropyl)-1-methyl-?藛3-piperideine
1-[6-(2-Hydroxypropyl)-1-methyl-1,2,3,6-tetrahydro-2-pyridinyl]-2-butanol #
(2alpha,6alpha)-N-methyl-2-(2-oxo-propyl)-6-(2-hydroxybutyl)-piperidine|lobechidine C
4-Aethyl-2,3-dimethyl-8-propyl-chinolin|4-ethyl-2,3-dimethyl-8-propyl-quinoline
tulobuterol
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 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 D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents Tulobuterol (C-78 free base) is a long-acting β2-adrenoceptor agonist, which reduces the frequency of exacerbations of chronic obstructive pulmonary disease and bronchial asthma. Tulobuterol is also a sympathomimetic agent used as a transdermal patch, and increases normal diaphragm muscle strength[1].
C8-homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 203
2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline
3-Ethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID
Cyprodenate
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
tert-butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate
tert-Butyl 5-methyl-2,4-dioxopiperidine-1-carboxylate
Piperidin-4-ylmethyl-pyridin-2-yl-amine hydrochloride
[1,2,4]Triazolo[4,3-a]quinolin-8-ol,1-ethyl-5-methyl-(9CI)
2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
2-Acetyl-1-piperidinecarboxylic acid tert-butyl ester
1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine
2-oxa-6-azaspiro[3,5]nonane-6-carboxylic acid tert-butyl ester
tert-Butyl 2,5-Dioxa-8-aza-spiro[3,5]nonane-8-carboxylate
TERT-BUTYL (1-CYCLOBUTYL-3-OXOPROPAN-2-YL)CARBAMATE
[1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-yl]boronicacid
(1R,4R)-4-(Boc-aMino)cyclopent-2-enecarboxylic acid
cis-2-tert-Butoxycarbonylaminocyclopent-3-ene-1-carboxylic acid
([AMINO(IMINO)METHYL]AMINO)[3,5-DI(TRIFLUOROMETHYL)PHENYL]DIOXO-LAMBDA6-SULFANEHYDRATE
(E)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-N,N-DIMETHYLBUTA-1,3-DIEN-1-AMINE
(1S,5R)-tert-Butyl 7-oxo-6-oxa-2-azabicyclo[3.2.1]octane-2-carboxylate
tert-butyl 5-hydroxy-octahydrocyclopenta[c]pyrrole-2-carboxylate
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-2-carboxylic acid
4-Methylene-1-{[(2-methyl-2-propanyl)oxy]carbonyl}proline
2-TERT-BUTOXYCARBONYLAMINO-PENT-4-YNOIC ACID METHYL ESTER
(1s,4r)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-rel-
1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENT-3-ENECARBOXYLIC ACID
tert-butyl 4-(2-hydroxyethylidene)piperidine-1-carboxylate
tert-Butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
Pyrido[2,3-b][1,6]naphthyridine, 7-acetyl-6,7,8,9-tetrahydro- (9CI)
5-(tert-Butoxycarbonyl)-5-azaspiro[2.3]hexane-1-carboxylic acid
6-benzyl-4,5,7,8-tetrahydro-1H-pyrazolo[3,4-d]azepine
(1-ETHYL-2,2-DIMETHYL-PROPYL)-HYDRAZINEHYDROCHLORIDE
(1R,4S)-N-Boc-4-Aminocyclopent-2-Enecarboxylic Acid
tert-butyl 3-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
CYCLOPROPANECARBOXYLIC ACID, 1-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-ETHENYL-, (1S,2S)-
tert-butyl 4-hydroxy-6-azaspiro[2.5]octane-6-carboxylate
(1R,2S)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic acid
1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid
Benzenemethanamine,a-methyl-4-(phenylmethoxy)-, (aR)
3-Acetyl-1-piperidinecarboxylic acid tert-butyl ester
6-Benzyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
tert-Butyl 2,6-dimethyl-4-oxopiperidine-1-carboxylate
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoate
Benzenemethanamine,a-methyl-2-(phenylmethoxy)-, (S)-
Benzenemethanamine,a-methyl-2-(phenylmethoxy)-,(R)-
2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
2-[(CYCLOHEXYLCARBONYL)AMINO]-3-METHYLBUTANOIC ACID
5-ETHYL-2,8-DIISOPROPYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE
(1R,5S)-3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
2-[(Butylamino)carbonyl]cyclohexanecarboxylic acid
tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
4-ETHYL-6-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
tert-butyl exo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-amine
1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
(1S,3S,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]ethanol
(5R)-6-Cyano-5-hydroxy-3-oxo-hexanoic Acid tert-Butyl Ester
dimetofrine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
3-fluoro-4-(2-dimethylamine-ethoxy)-phenylboronic acid
2-(4-Aminophenyl)-1H-benzimidazol-6-amine conjugate acid
1,2,3,4 tetrahydro-5-Methoxy-N- Methyl 2-napthalenamine HCl
(6-Hydroxyspiro[3.3]hept-2-yl)carbamic acid tert-butyl ester
Benzenemethanamine, a-methyl-4-(phenylmethoxy)-, (S)-
[1S-, 2R-, 5R-]3-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 3-tert-butyl ester
3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one Hydrochloride
2-[4-(2-CHLORO-4-NITROPHENYL)PIPERAZIN-1-YL]-ETHANOL
1H-Imidazole,1-methyl-2-phenyl-5-(1-pyrrolidinyl)-(9CI)
2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Furo[2,3-c]pyridine, 6-ethyl-4,5,6,7-tetrahydro-2-phenyl- (9CI)
2,3-Dihydroindol-1-yl-(1-methyl-4-pyrazolyl)methanone
(-)-Morphinan
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
3-methyl-N-(1H-pyrrol-2-ylmethylene)benzohydrazide
(S)-3-Oxo-N-(2-oxotetrahydrofuran-3-yl)heptanamide
5-Ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-C]quinolin-4-one
(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate
Tetradecanoate
A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.
(3S,4Z,6E,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoate
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
3-Acetamino-6-isobutyl-2,5-dioxopiperazine
A member of the class of 2,5-diketopiperazines that is 2,5-diketopiperazine substituted by an (aminocarbonyl)methyl group at position 3 and an isobutyl group at position 6. It is isolated from the fungus Cordyceps sinensis and exhibits significant cytotoxicity against L-929, A375 and HeLa cell lines.
(E)-1-(2,6-difluorophenyl)ethan-1-one O-(sec-butyl) oxime
3-[2-(2-Hydroxyphenoxy)ethylamino]propane-1,2-diol
Cyclohexene, 3-acetamido-6-trimethylsilyloxy-, cis-
Isomyristate
A methyl-branched fatty acid anion that is the conjugate base of 12-methyltridecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-Methyl meiqx
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
fatty acid anion 14:0
Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
1-[(2s,6r)-6-[(2r)-2-hydroxypentyl]piperidin-2-yl]propan-2-one
(1r,5s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl 2-methylpropanoate
6methoxy-2-methyl-beta-carbolinium cation
{"Ingredient_id": "HBIN012505","Ingredient_name": "6methoxy-2-methyl-beta-carbolinium cation","Alias": "NA","Ingredient_formula": "C14H15N2O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31565","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
