Exact Mass: 199.1395
Exact Mass Matches: 199.1395
Found 381 metabolites which its exact mass value is equals to given mass value 199.1395,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyrimethanil
CONFIDENCE standard compound; INTERNAL_ID 405; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8499; ORIGINAL_PRECURSOR_SCAN_NO 8497 CONFIDENCE standard compound; INTERNAL_ID 405; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8493; ORIGINAL_PRECURSOR_SCAN_NO 8491 CONFIDENCE standard compound; INTERNAL_ID 405; 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 405; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8481; ORIGINAL_PRECURSOR_SCAN_NO 8479 CONFIDENCE standard compound; INTERNAL_ID 405; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8457 CONFIDENCE standard compound; INTERNAL_ID 405; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8532; ORIGINAL_PRECURSOR_SCAN_NO 8531 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2712 Pyrimethanil is a fungicide used on grape vines. COVID info from PDB, Protein Data Bank Fungicide used on grape vines. Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ecgonine methyl ester
Ecgonine methyl ester is a major metabolite of cocaine. It is generally not measured by HPLC because it is poorly detectable by UV, and its water solubility makes recovery from urine difficult. Using modified solid-phase extraction procedures, recoveries of 85\\% for ecgonine methyl ester could be obtained from urine. (PMID:1298401) [HMDB] Ecgonine methyl ester is a major metabolite of cocaine. It is generally not measured by HPLC because it is poorly detectable by UV, and its water solubility makes recovery from urine difficult. Using modified solid-phase extraction procedures, recoveries of 85\\% for ecgonine methyl ester could be obtained from urine. (PMID:1298401). CONFIDENCE standard compound; INTERNAL_ID 1618
Diethylcarbamazine
Diethylcarbamazine is only found in individuals that have used or taken this drug. It is an anthelmintic used primarily as the citrate in the treatment of filariasis, particularly infestations with Wucheria bancrofti or Loa loa. [PubChem]The mechanism of action of diethylcarbamazine is thought to involve sensitizing the microfilariae to phagocytosis. One study showed that diethylcarbamazines activity against Brugia malayi microfilariae is dependent on inducible nitric-oxide synthase and the cyclooxygenase pathway. It confirmed the important role of the arachidonic acid metabolic pathway in diethylcarbamazines mechanism of action in vivo and showes that in addition to its effects on the 5-lipoxygenase pathway, it targets the cyclooxygenase pathway and COX-1. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CB - Piperazine and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
N-hexanoyl-L-Homoserine lactone
N-Hexanoyl-L-homoserine lactone (HHSL) is a type of signaling molecule known as an autoinducer, which plays a significant role in bacterial communication and behavior, particularly in processes governed by quorum sensing (QS). Here are some of its key biological functions: Quorum Sensing Signaling: HHSL is involved in quorum sensing, a mechanism by which bacteria communicate with each other to coordinate their behavior based on population density. When the concentration of HHSL reaches a certain threshold, it triggers specific responses in the bacterial population. Regulation of Gene Expression: In many bacteria, HHSL binds to specific transcriptional regulators, leading to the activation or repression of target genes. This regulation can control a variety of biological processes, including bioluminescence, biofilm formation, virulence factor production, and sporulation. Biofilm Formation: HHSL can influence the formation and maintenance of biofilms, which are complex communities of bacteria encased in a self-produced matrix. Biofilms are often associated with increased resistance to antibiotics and host immune responses. Virulence and Pathogenicity: In pathogenic bacteria, HHSL can regulate the expression of virulence factors, contributing to the bacteria’s ability to cause disease. By modulating these factors, HHSL can affect the bacteria’s interaction with the host and its ability to evade the immune system. Symbiotic Interactions: HHSL 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 HHSL and other autoinducers in bacterial communication and behavior is crucial for developing new strategies to control bacterial infections and manage biofilm-related issues.
gamma-Glutamyl-beta-aminopropiononitrile
This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
Neotussilagine
Isotussilagine is found in tea. Isotussilagine is an alkaloid artifact from Tussilago farfara (coltsfoot) resulting from the use of MeOH during isolate
Cevimeline
Cevimeline is only found in individuals that have used or taken this drug. It is a parasympathomimetic and muscarinic agonist, with particular effect on M3 receptors. It is indicated by the Food and Drug Administration for the treatment of dry mouth associated with Sjögrens syndrome. [Wikipedia] Muscarinic agonists such as cevimeline bind and activate the muscarinic M1 and M3 receptors. The M1 receptors are common in secretory glands (exocrine glands such as salivary and sweat glands), and their activation results in an increase in secretion from the secretory glands. The M3 receptors are found on smooth muscles and in many glands which help to stimulate secretion in salivary glands, and their activation generally results in smooth muscle contraction and increased glandular secretions. Therefore, as saliva excretion is increased, the symptoms of dry mouth are relieved. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics
cevimeline trans-sulfoxide
cevimeline trans-sulfoxide is a metabolite of cevimeline. Cevimeline (Evoxac) is a parasympathomimetic and muscarinic agonist, with particular effect on M3 receptors. It is used in the treatment of dry mouth associated with Sjögrens syndrome. (Wikipedia) D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics
cevimeline cis-sulfoxide
cevimeline cis-sulfoxide is a metabolite of cevimeline. Cevimeline (Evoxac) is a parasympathomimetic and muscarinic agonist, with particular effect on M3 receptors. It is used in the treatment of dry mouth associated with Sjögrens syndrome. (Wikipedia)
11-nitro-1-undecene
11-nitro-1-undecene, also known as Omega-nitroundecylene, is classified as a member of the C-nitro compounds. C-nitro compounds are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. 11-nitro-1-undecene is considered to be practically insoluble (in water) and acidic
2-octenoylglycine
2-Octenoylglycine is classified as a member of the Alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-Octenoylglycine is considered to be slightly soluble (in water) and acidic.
3-octenoylglycine
3-Octenoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 3-Octenoylglycine is considered to be practically insoluble (in water) and acidic.
4-octenoylglycine
4-Octenoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-Octenoylglycine is considered to be practically insoluble (in water) and acidic.
5-octenoylglycine
5-Octenoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 5-Octenoylglycine is considered to be practically insoluble (in water) and acidic.
6-octenoylglycine
6-Octenoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 6-Octenoylglycine is considered to be practically insoluble (in water) and acidic.
7-octenoylglycine
7-Octenoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 7-Octenoylglycine is considered to be practically insoluble (in water) and acidic.ÂÂ
(2S)-2-Methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
(5-hydroxymethyl-4-methyl-3-oxo-3,4,5,6-tetrahydro-pyrazin-2-yl)-guanidine|Stizolamin
2,4-Dimethyl-8-propyl-chinolin|2,4-dimethyl-8-propyl-quinoline
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate methyl ester
Ecgonine-methyl-ester (EME)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3619
Cevimeline
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics
1-Oxa-6-azaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester
6-Oxa-1-aza-spiro[3,3]heptane-1-carboxylic acid tert-butyl ester
(S)-2-(2,6,7,8-tetrahydro-1H-indeno[5,4-b]furan-8-yl)acetonitrile
Carbamic acid, [(1S)-1-(hydroxymethyl)-3-butynyl]-, 1,1-dimethylethyl ester
Pyrido[3,2-e]pyrrolo[1,2-a]pyrazine, 5,6-dihydro-6,6-dimethyl- (9CI)
2-PHENYL-4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE
(R)-tert-butyl 2-Methyl-4-oxopyrrolidine-1-carboxylate
2-Methyl-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
(1R)-1-(3-methylphenyl)butan-1-amine,hydrochloride
(1R)-1-(4-methylphenyl)butan-1-amine,hydrochloride
(1S)-1-(4-methylphenyl)butan-1-amine,hydrochloride
(R)-2-Methyl-1-(o-tolyl)propan-1-amine hydrochloride
(S)-2-Methyl-1-(o-tolyl)propan-1-amine hydrochloride
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine,hydrochloride
(1S)-2-methyl-1-(3-methylphenyl)propan-1-amine,hydrochloride
(1R)-2-methyl-1-(4-methylphenyl)propan-1-amine,hydrochloride
(1R)-1-(2,3-dimethylphenyl)propan-1-amine,hydrochloride
(1S)-1-(2,3-dimethylphenyl)propan-1-amine,hydrochloride
(R)-1-(3,4-Dimethylphenyl)propan-1-amine hydrochloride
(1S)-1-(3,4-dimethylphenyl)propan-1-amine,hydrochloride
(1S)-1-(3,5-dimethylphenyl)propan-1-amine,hydrochloride
(R)-1-(2,4-Dimethylphenyl)propan-1-amine hydrochloride
(S)-1-(2,4-Dimethylphenyl)propan-1-amine hydrochloride
(1R)-1-(2-propan-2-ylphenyl)ethanamine,hydrochloride
(1R)-1-(4-propan-2-ylphenyl)ethanamine,hydrochloride
(1S)-1-(4-propan-2-ylphenyl)ethanamine,hydrochloride
tert-butyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
(1R)-1-(2,5-dimethylphenyl)propan-1-amine,hydrochloride
2-methylprop-2-enoic acid,N-propan-2-ylprop-2-enamide
1-amino-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
(1S)-1-(2-propan-2-ylphenyl)ethanamine,hydrochloride
(1R)-1-(4-ethylphenyl)propan-1-amine,hydrochloride
ethyl 2-(dimethylaminomethylidene)-3-oxopentanoate
Pyrrolo[3,2-e]benzimidazole, 1,6-dihydro-1,7,8-trimethyl- (9CI)
N-[(dimethylamino)methyl]prop-2-enamide,prop-2-enamide
5,5-DIMETHYL-2-(PIPERAZIN-1-YL)-4,5-DIHYDROTHIAZOLE
tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
1H-Azepine-1-propanoicacid, hexahydro-, ethyl ester
1-(3-Methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
(1S)-2-methyl-1-(4-methylphenyl)propan-1-amine,hydrochloride
2-Phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
tert-butyl N-[(2R)-1-hydroxypent-4-yn-2-yl]carbamate
1-ISOPROPYL-2-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
tert-butyl 1-oxa-5-azaspiro[2.4]heptane-5-carboxylate
N-[(4-AMINO-3-METHYLPHENYL)ETHYLAMINO]ETHYLSULFATEMONOHYDRATE(CD-3)
3-Formyl-pyrrolidine-1-carboxylic acid tert-butyl ester
tert-Butyl 7-oxa-3-aza-bicyclo[4.1.0]heptane-3-carboxylate
4,5,6,7-Tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine
3-[(Dimethylamino)methyl]-1H-indole-4-carbonitrile
Poly(triethanolamine)ether,methyl chloride quaternized
1H-Pyrrolo[2,3-b]pyridine, 3-(1,2,3,6-tetrahydro-4-pyridinyl)-
3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
4-HYDROXYIMINOMETHYL-1,2,5,5-PENTAMETHYL-3-IMIDAZOLINE-3-OXIDE
ethyl 3-amino-8-oxabicyclo[3.2.1]octane-3-carboxylate
1-Pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
1H-Cyclopenta[b]quinoline,2,3,3a,4-tetrahydro-3a,9-dimethyl-(9CI)
6-[N-(2-Hydroxyethyl)amino]-1,3-dimethyl-2,4(1H,3H)-dione
Carbamic acid, 3-oxabicyclo[3.1.0]hex-6-yl-, 1,1-dimethylethyl ester (9CI)
ethyl 5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylate
2-methyl-1-(2-methylphenyl)propan-2-amine,hydrochloride
(S)-(-)-N-ISOPROPYL-1-PHENYLETHYLAMINE HYDROCHLORIDE
3-PHENYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE
3-(2-AMINO-ETHYL)-2-METHYL-1H-INDOLE-5-CARBONITRILE
(S)-(+)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE
Carbamicacid,(2-oxocyclopentyl)-,1,1-dimethylethyl ester,(S)-(9CI)
3-(2-Pyrrolidin-1-yl-vinyl)-pyridine-2-carbonitrile
(S)-tert-butyl 2-Methyl-4-oxopyrrolidine-1-carboxylate
1-(2,2-dimethoxyethyl)-1H-imidazole-2-carbaldehyde oxime
tert-butyl 6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
3-(1,2,3,4-Tetrahydronaphthalen-6-yl)-3-oxopropanenitrile,3-(5,6,7,8-Tetrahydro-2-naphthyl)-3-oxopropionitrile
2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
7-CHLORO-6-METHYL-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzenecarbaldehyde
Prima-1met
C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent Eprenetapopt (APR-246) is a first-in-class, small molecule that restores wild-type p53 functions in TP53-mutant cells. Eprenetapopt triggers apoptosis in tumor cells. Eprenetapopt also targets the selenoprotein thioredoxin reductase 1 (TrxR1), a key regulator of cellular redox balance[1][2][3].
Dodecanoate
A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.
(2S)-2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo(2.2.2)octan-3-one
ecgonine methyl ester
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Tussilagine
3-Methylundecanoate
A 3-methyl fatty acid anion that is the conjugate base of 3-methylundecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Microdiplactone
An oxazinane that is 1,4-oxazepane substituted by propyl groups at positions 3 and 4 and an oxo group at position 7. It is isolated from the endophytic fungus Microdiplodia species.
diethylcarbamazine
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CB - Piperazine and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
gamma-Glutamyl-beta-aminopropiononitrile
A nitrile that is L-glutamine in which one of the hydrogens attached to the amide nitrogen is replaced by a 2-cyanoethyl group.
Methyl ecgonine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics The O-debenzoyl analogue of cocaine.
Pyrimethanil
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
11-nitro-1-undecene
A nitroalkene that is 1-undecene substituted by a nitro group at position 11. Metabolite observed in cancer metabolism.
fatty acid anion 12:0
Any saturated fatty acid anion containing 12 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxyacetate
5-[(2,3-dimethylbut-3-en-2-yl)peroxy]-4,5-dihydro-3h-pyrrol-2-ol
2-n-pentylquinoline
{"Ingredient_id": "HBIN006153","Ingredient_name": "2-n-pentylquinoline","Alias": "NA","Ingredient_formula": "C14H17N","Ingredient_Smile": "CCCCCC1=NC2=CC=CC=C2C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16885","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
