Exact Mass: 199.1008516

Exact Mass Matches: 199.1008516

Found 500 metabolites which its exact mass value is equals to given mass value 199.1008516, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pyrimethanil

4,6-Dimethyl-N-phenylpyrimidin-2-amine

C12H13N3 (199.1109418)

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

methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

C10H17NO3 (199.1208372)

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

3-(3,4-dihydroxypyridinium-1-yl)-L-alanine

C8H11N2O4+ (199.0718786)

A pyridinium ion that is L-alanine in which a methyl hydrogen is replaced by a 3,4-dioxidopyridinium-1-yl group.

N-hexanoyl-L-Homoserine lactone

N-[(3S)-tetrahydro-2-oxo-3-furanyl]-hexanamide

C10H17NO3 (199.1208372)

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

(2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid

C8H13N3O3 (199.0956868)

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

Methyl 2-hydroxy-2-methyl-hexahydro-1H-pyrrolizine-1-carboxylic acid

C10H17NO3 (199.1208372)

Isotussilagine is found in tea. Isotussilagine is an alkaloid artifact from Tussilago farfara (coltsfoot) resulting from the use of MeOH during isolate

CHEMBL1161513

3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine

C9H13NO4 (199.0844538)

Cevimeline

(2R)-5-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2-[1,4]oxathiolane]

C10H17NOS (199.1030792)

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

2-(4-Methyl-5-thiazolyl)ethyl propionate

2-(4-Methyl-1,3-thiazol-5-yl)ethyl propanoic acid

C9H13NO2S (199.06669580000002)

2-(4-Methyl-5-thiazolyl)ethyl propionate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one

C9H13NO4 (199.0844538)

2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one is a minor product from the Maillard reaction of xylose and glycin Minor product from the Maillard reaction of xylose and glycine

3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine

2-amino-3-Methyl-3H-imidazo[4,5-F]quinoxaline

C10H9N5 (199.0857914)

3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine is found in animal foods. Mutagen found in cooked beef and pork. Mutagen found in cooked beef and pork

cevimeline trans-sulfoxide

(2R,5R)-5-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2-[1,4]oxathiolane]

C10H17NOS (199.1030792)

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

(2R,5S)-5-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2-[1,4]oxathiolane]

C10H17NOS (199.1030792)

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)

2-octenoylglycine

2-amino-3-oxodec-4-enoic acid

C10H17NO3 (199.1208372)

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

2-[(1-hydroxyoct-3-en-1-ylidene)amino]acetic acid

C10H17NO3 (199.1208372)

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

2-[(1-hydroxyoct-4-en-1-ylidene)amino]acetic acid

C10H17NO3 (199.1208372)

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

2-[(1-hydroxyoct-5-en-1-ylidene)amino]acetic acid

C10H17NO3 (199.1208372)

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

2-[(1-hydroxyoct-6-en-1-ylidene)amino]acetic acid

C10H17NO3 (199.1208372)

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

2-[(1-hydroxyoct-7-en-1-ylidene)amino]acetic acid

C10H17NO3 (199.1208372)

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.Ã‚Â

2-Fluoro-5-hydroxy-L-phenylalanine

2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid

C9H10FNO3 (199.06446820000002)

3-(2-Hydroxyethyl)histidine

2-amino-3-[1-(2-hydroxyethyl)-1H-imidazol-5-yl]propanoic acid

C8H13N3O3 (199.0956868)

2,2'-Dipicolylamine

bis[(pyridin-2-yl)methyl]amine

C12H13N3 (199.1109418)

(2S)-2-Methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]

(2S)-2-Methylspiro[1,3-oxathiolane-5,3-1-azabicyclo[2.2.2]octane]

C10H17NOS (199.1030792)

Makaluvamine B

C11H9N3O (199.07455839999997)

C6-HSL

N-hexanoyl-L-Homoserine lactone