Exact Mass: 197.1277
Exact Mass Matches: 197.1277
Found 500 metabolites which its exact mass value is equals to given mass value 197.1277,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metanephrine
Metanephrine is a metabolite of epinephrine created by action of catechol O-methyltransferase on epinephrine. Technically it is a product of epinephrine O-methylation. It is a commonly occurring, pharmacologically and physiologically inactive metabolite of epinephrine. The measurement of plasma free metanephrines is considered to be the best tool in the diagnosis of pheochromocytoma, a rare kind of adrenal medullary neoplasm. In adrenal chromaffin cells, leakage of norepinephrine and epinephrine from storage granules leads to substantial intracellular production of the O-methylated metabolite metanephrine. In fact, the adrenals constitute the single largest source out of any organ system including the liver for circulating metanephrine. In humans, about 93 percent of circulating metanephrine is derived from catecholamines metabolized within adrenal chromaffin cells. (PMID 15317907). Metanephrine is a metabolite of epinephrine created by action of catechol O-methyltransferase on epinephrine. Technically it is a product of epinephrine O-methylation. It is a commonly occurring, pharmacologically and physiologically inactive metabolite of epinephrine. The measurement of plasma free metanephrines is considered to be the best tool in the diagnosis of pheochromocytoma, a rare kind of adrenal medullary neoplasm.
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol, also known as 2-Hydroxyatrazine, is classified as a member of the 1,3,5-triazines. 1,3,5-triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol is considered to be practically insoluble (in water) and relatively neutral CONFIDENCE standard compound; EAWAG_UCHEM_ID 279 CONFIDENCE standard compound; INTERNAL_ID 8441 CONFIDENCE standard compound; INTERNAL_ID 2550 KEIO_ID A196
Aniline Yellow
D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8954; ORIGINAL_PRECURSOR_SCAN_NO 8952 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8959 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8978; ORIGINAL_PRECURSOR_SCAN_NO 8977 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8974; ORIGINAL_PRECURSOR_SCAN_NO 8972 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8989; ORIGINAL_PRECURSOR_SCAN_NO 8988 CONFIDENCE standard compound; INTERNAL_ID 1313; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8997; ORIGINAL_PRECURSOR_SCAN_NO 8995 CONFIDENCE standard compound; INTERNAL_ID 2428 CONFIDENCE standard compound; INTERNAL_ID 8113 CONFIDENCE standard compound; INTERNAL_ID 4141
N-Acetylhistidine
N-Acetyl-L-histidine or N-Acetylhistidine, belongs to the class of organic compounds known as 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. N-Acetylhistidine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylhistidine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-histidine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\% of all human proteins and 68\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylhistidine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free histidine can also occur. In particular, N-Acetylhistidine can be biosynthesized from L-histidine and acetyl-CoA by the enzyme histidine N-acetyltransferase (EC 2.3.1.33). Many N-acetylamino acids are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). Constituent of the tissues of various fish and amphibian subspecies N-Acetylhistidine is found in fishes. KEIO_ID A073
Tenuazonic acid
Tenuazonic acid is produced by Aspergillus species Causes rice leaf rot Tenuazonic acid is a mycotoxin. It is a toxic secondary metabolite, produced by Alternaria (e. g. Alternaria alternata or Alternaria tenuis) and Phoma species. It inhibits the protein synthesis machinery D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Production by Aspergillus subspecies Causes rice leaf rot D000970 - Antineoplastic Agents
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate
3-Amino-1-methyl-5H-pyrido[4,3-b]indole
3-Amino-1-methyl-5H-pyrido[4,3-b]indole is isolated from protein pyrolysates contg. tryptophan. Mutagenic potential food contaminant. Isolated from protein pyrolysates contg. tryptophan. Mutagenic potential food contaminant. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
HC Red 3
CONFIDENCE standard compound; INTERNAL_ID 517; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1613; ORIGINAL_PRECURSOR_SCAN_NO 1611 CONFIDENCE standard compound; INTERNAL_ID 517; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1614; ORIGINAL_PRECURSOR_SCAN_NO 1611 CONFIDENCE standard compound; INTERNAL_ID 517; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1605; ORIGINAL_PRECURSOR_SCAN_NO 1604 CONFIDENCE standard compound; INTERNAL_ID 517; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1619; ORIGINAL_PRECURSOR_SCAN_NO 1617 CONFIDENCE standard compound; INTERNAL_ID 517; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1629; ORIGINAL_PRECURSOR_SCAN_NO 1626 CONFIDENCE standard compound; INTERNAL_ID 517; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1597; ORIGINAL_PRECURSOR_SCAN_NO 1592
Methyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
Desglymidodrine
Desglymidodrine is a metabolite of midodrine. Midodrine (brand names Amatine, ProAmatine, Gutron) is a vasopressor/antihypotensive agent. Midodrine was approved in the United States by the Food and Drug Administration (FDA) in 1996 for the treatment of dysautonomia and orthostatic hypotension. In August 2010, the FDA proposed withdrawing this approval because the manufacturer, Shire plc, has failed to complete required studies after the medicine reached the market. (Wikipedia) Midodrine, a prodrug, is converted after oral administration into its active drug, desglymidodrine, which acts as an alpha(1)-adrenoceptor stimulant. (PMID: 17901021) Through selective alpha(1)-adrenergic receptor-binding, desglymidodrine, the active metabolite of midodrine, raises blood pressure by enhancing venous and arterial tone. (PMID: 12904123) Desglymidodrine (ST 1059), the active metabolite of Midodrine (HY-12749), is a selective α1-adrenoceptor agonist. Desglymidodrine is an effective arterial and venous vasoconstrictor and can be used to regulate blood pressure[1][2].
L-Histidine trimethylbetaine
L-Histidine trimethylbetaine is found in mushrooms. L-Histidine trimethylbetaine is produced by fungi, e.g. Boletus edulis (porcini), Agaricus bisporus (button mushroom Production by fungi, e.g. Boletus edulis (porcini), Agaricus bisporus (button mushroom). L-Histidine trimethylbetaine is found in mushrooms.
1-Hydroxy-3-methyl-9H-carbazole
1-Hydroxy-3-methyl-9H-carbazole is found in herbs and spices. 1-Hydroxy-3-methyl-9H-carbazole is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). 1-Hydroxy-3-methyl-9H-carbazole is found in herbs and spices.
2-Hydroxy-3-methyl-9H-carbazole
2-Hydroxy-3-methyl-9H-carbazole is found in herbs and spices. 2-Hydroxy-3-methyl-9H-carbazole is an alkaloid from the roots of Murraya koenigii (curryleaf tree). Alkaloid from the roots of Murraya koenigii (curryleaf tree). 2-Hydroxy-3-methyl-9H-carbazole is found in herbs and spices.
2-(3-Phenylpropyl)pyridine
2-(3-Phenylpropyl)pyridine is a flavouring ingredien Flavouring ingredient
5-Ethyl-4-methyl-2-pentylthiazole
5-Ethyl-4-methyl-2-pentylthiazole is classified as a Natural Food Constituent (code WA) in the DFC. Classified as a Natural Food Constituent (code WA) in the DFC
2-Hexyl-4,5-dimethylthiazole
2-Hexyl-4,5-dimethylthiazole is found in animal foods. 2-Hexyl-4,5-dimethylthiazole is a volatile flavour component of cooked beef. Volatile flavour component of cooked beef. 2-Hexyl-4,5-dimethylthiazole is found in animal foods.
4-Ethyl-2-hexylthiazole
4-Ethyl-2-hexylthiazole is classified as a Natural Food Constituent (code WA) in the DFC. Classified as a Natural Food Constituent (code WA) in the DFC
2-Pentyl-4-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
L-Metanephrine
L-Metanephrine is classified as a member of the Methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. L-Metanephrine is considered to be soluble (in water) and acidic
1,2-octadienoylglycine
1,2-Octadienoylglycine 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). 1,2-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
1,3-octadienoylglycine
1,3-Octadienoylglycine 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). 1,3-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
1,4-octadienoylglycine
1,4-Octadienoylglycine 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). 1,4-Octadienoylglycine is considered to be slightly soluble (in water) and acidic.
1,5-octadienoylglycine
1,5-Octadienoylglycine 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). 1,5-Octadienoylglycine is considered to be slightly soluble (in water) and acidic.
1,6-octadienoylglycine
1,6-Octadienoylglycine 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). 1,6-Octadienoylglycine is considered to be slightly soluble (in water) and acidic.
1,7-octadienoylglycine
1,7-Octadienoylglycine 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). 1,7-Octadienoylglycine is considered to be slightly soluble (in water) and acidic.
2,3-octadienoylglycine
2,3-octadienoylglycine 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. 2,3-octadienoylglycine is considered to be a practically insoluble (in water) and a weak acidic compound. 2,3-octadienoylglycine can be found in urine.
2,4-octadienoylglycine
2,4-Octadienoylglycine 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. 2,4-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
2,5-octadienoylglycine
2,5-Octadienoylglycine 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. 2,5-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
2,6-octadienoylglycine
2,6-Octadienoylglycine 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. 2,6-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
2,7-octadienoylglycine
2,7-Octadienoylglycine 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. 2,7-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
3,4-octadienoylglycine
3,4-Octadienoylglycine 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. 3,4-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
3,5-octadienoylglycine
3,5-Octadienoylglycine 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. 3,5-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
3,6-octadienoylglycine
3,6-Octadienoylglycine 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. 3,6-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
3,7-octadienoylglycine
3,7-Octadienoylglycine 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. 3,7-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
4,5-octadienoylglycine
4,5-Octadienoylglycine 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. 4,5-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
4,6-octadienoylglycine
4,6-Octadienoylglycine 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. 4,6-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
4,7-octadienoylglycine
4,7-Octadienoylglycine 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. 4,7-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
5,6-octadienoylglycine
5,6-Octadienoylglycine 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. 5,6-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
5,7-octadienoylglycine
5,7-Octadienoylglycine 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. 5,7-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
6,7-octadienoylglycine
6,7-Octadienoylglycine 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. 6,7-Octadienoylglycine is considered to be practically insoluble (in water) and acidic.
2',3-Dimethyl-4-aminobiphenyl
D009676 - Noxae > D002273 - Carcinogens
Stizolamine
Stizolamine is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Stizolamine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Stizolamine can be found in broad bean and peanut, which makes stizolamine a potential biomarker for the consumption of these food products.
3-Phenyl-4-propylpyridine
3-phenyl-4-propylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 3-phenyl-4-propylpyridine is practically insoluble (in water) and a very strong basic compound (based on its pKa). 3-phenyl-4-propylpyridine can be found in peppermint, which makes 3-phenyl-4-propylpyridine a potential biomarker for the consumption of this food product.
Tenuazonic acid-(Copper salt)
ethyl 3-oxo-2-azabicyclo[2.2.2]octane-4-carboxylate
Dibenzylamine
CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5502; ORIGINAL_PRECURSOR_SCAN_NO 5499 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5500; ORIGINAL_PRECURSOR_SCAN_NO 5498 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5534; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5520; ORIGINAL_PRECURSOR_SCAN_NO 5516 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5601; ORIGINAL_PRECURSOR_SCAN_NO 5597 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5528; ORIGINAL_PRECURSOR_SCAN_NO 5523 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6532; ORIGINAL_PRECURSOR_SCAN_NO 6530 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6549; ORIGINAL_PRECURSOR_SCAN_NO 6548 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6574; ORIGINAL_PRECURSOR_SCAN_NO 6572 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6574; ORIGINAL_PRECURSOR_SCAN_NO 6571 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6563; ORIGINAL_PRECURSOR_SCAN_NO 6561 CONFIDENCE standard compound; INTERNAL_ID 359; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6578; ORIGINAL_PRECURSOR_SCAN_NO 6575
Propanoic acid 8-methyl-8-azabicyclo[3.2.1]octane-3-yl ester
(S)-5-(1-hydroxybutyl)-6-(hydroxymethyl)pyridin-2(1H)-one|chrysogedone B
1,2-Didehydro-2-Pentylquinline|2-(1-pentenyl)quinoline|2-Pent-1-enyl-chinolin|2-pent-1-enyl-quinoline|E-1-(2-quinolyl)-pentene
Ethylnorepinephrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent
tenuazonic acid
A member of the class of pyrrolidin-2-ones that is 5-(butan-2-yl)pyrrolidine-2,4-dione carrying an additional acetyl group at position 3. A mycotoxin produced by various plant pathogenic fungi. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1) D000970 - Antineoplastic Agents
N,N-Acetylhistidine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KBOJOGQFRVVWBH-ZETCQYMHSA-N_STSL_0239_N-Acetylhistidine_0062fmol_190403_S2_LC02MS02_071; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
2-(3-phenylpropyl)pyridine
CONFIDENCE standard compound; INTERNAL_ID 1165; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7125; ORIGINAL_PRECURSOR_SCAN_NO 7124 CONFIDENCE standard compound; INTERNAL_ID 1165; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7121; ORIGINAL_PRECURSOR_SCAN_NO 7120 CONFIDENCE standard compound; INTERNAL_ID 1165; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883 CONFIDENCE standard compound; INTERNAL_ID 1165; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6899; ORIGINAL_PRECURSOR_SCAN_NO 6898 CONFIDENCE standard compound; INTERNAL_ID 1165; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6921; ORIGINAL_PRECURSOR_SCAN_NO 6920 CONFIDENCE standard compound; INTERNAL_ID 1165; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6907; ORIGINAL_PRECURSOR_SCAN_NO 6905
4-(3-phenylpropyl)pyridine
CONFIDENCE standard compound; INTERNAL_ID 1299; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7125; ORIGINAL_PRECURSOR_SCAN_NO 7124 CONFIDENCE standard compound; INTERNAL_ID 1299; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7110; ORIGINAL_PRECURSOR_SCAN_NO 7109 CONFIDENCE standard compound; INTERNAL_ID 1299; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883 CONFIDENCE standard compound; INTERNAL_ID 1299; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7116; ORIGINAL_PRECURSOR_SCAN_NO 7115 CONFIDENCE standard compound; INTERNAL_ID 1299; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6921; ORIGINAL_PRECURSOR_SCAN_NO 6920 CONFIDENCE standard compound; INTERNAL_ID 1299; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6907; ORIGINAL_PRECURSOR_SCAN_NO 6905
Ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-amino-1,7,7-trimethyl-
tert-butyl 2,3,6,7-tetrahydroazepine-1-carboxylate
3-Cyclohexene-1-carboxylicacid,1-(acetylamino)-,methylester(9CI)
1-ACETYL-2,2,5,5-TETRAMETHYL-3-PYRROLINE-3-METHANOL
(E)-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-ylidene)acetonitrile
2-(chloromethyl)oxirane,ethane-1,2-diamine,N-methylmethanamine
Propanedinitrile,2-[[4-(dimethylamino)phenyl]methylene]-
3-(4,6-DIAMINO-2,2-DIMETHYL-2H-[1,3,5]TRIAZIN-1-YL)-BENZOIC ACID HYDROCHLORIDE
tert-butyl 3-oxo-2,6-dihydropyridine-1-carboxylate
3-Amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
Methyl (2Z)-2-(cyclopropylcarbonyl)-3-(dimethylamino)acrylate
tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate
1,3,5-Triazine-2,4-diamine,N2,N4-diethyl-6-hydrazinyl-
1-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
1H-Benzimidazole,1-methyl-2-(1H-pyrrol-2-yl)-(9CI)
1H-Imidazole-4-carboxylicacid,1-methyl-2-[(1-methylethyl)amino]-,methyl
Spiro[2.4]heptane-1-carboxylic acid, 1-(aminomethyl)-5,6-dimethyl- (9CI)
5-(2-Methylpropyl)-3-isoxazolecarboxylic acid ethyl ester
N-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE HYDROCHLORIDE
(1,2,6,7,-Tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)acetonitrile
2,4(1H,3H)-Pyrimidinedione,6-amino-1-ethyl-3-propyl-
1H-Benzimidazole,2-(1-methyl-1H-pyrrol-2-yl)-(9CI)
(2-FLUORO-BENZYL)-(2-METHOXY-1-METHYL-ETHYL)-AMINE
3-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)propanoic acid
6-(2,5-dimethylpyrrol-1-yl)pyridine-3-carbonitrile
Ethyl 6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
TERT-BUTYL 2-OXO-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
Tetrahydro-1H-pyrrolizine-7a(5H)-acetic acid ethyl ester
Tert-Butyl 5-Amino-3-Methyl-1H-Pyrazole-1-Carboxylate
2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[2-(dimethylamino)-4-methoxypyrimidin-5-yl]boronic acid
(3-CHLORO-3-PHENYL-PROPYL)-DIMETHYL-AMINE HYDROCHLORIDE
tert-Butyl 2,3,4,5-tetrahydro-1H-azepine-1-carboxylate
methyl 1-[(E)-but-2-enoyl]pyrrolidine-2-carboxylate
Pyrimido[1,2-a]benzimidazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI)
4-[1-methoxy-2-(methylamino)ethyl]benzene-1,2-diol
1H-Imidazole-4-carboxylicacid,5-amino-2-methyl-,1,1-dimethylethylester
1H-Imidazole-4-carboxylicacid,5-amino-2-(1-methylethyl)-,ethylester(9CI)
L-Carnitine hydrochloride
L-Carnitine hydrochloride ((R)-Carnitine hydrochloride), a highly polar, small zwitterion, is an essential co-factor for the mitochondrial β-oxidation pathway. L-Carnitine hydrochloride functions to transport long chain fatty acyl-CoAs into the mitochondria for degradation by β-oxidation. L-Carnitine hydrochloride is an antioxidant. L-Carnitine hydrochloride can ameliorate metabolic imbalances in many inborn errors of metabolism[1][2][3].
Cyclopropanamine, 1-(3-ethylphenyl)-, hydrochloride (1:1)
3-(2-methoxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
2-Pyridinecarboxylic acid, 6-fluoro-, 1,1-dimethylethyl ester
3-Pyridinecarboxylic acid, 6-fluoro-, 1,1-dimethylethyl ester
(S)-1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-1H-pyrazol-3-amine
(3R,7aS)-3-(tert-butyl)dihydro-1H,3H-pyrrolo[1,2-c]oxazole-1,5(6H)-dione
4-AMINOMETHYL-2,5-DIMETHYL-FURAN-3-CARBOXYLIC ACID ETHYL ESTER
tert-butyl (1S,4R)-3-azabicyclo[2.2.1]heptane-3-carboxylate
N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
2-Azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester
1H-Imidazole-4-carboxylicacid,5-amino-2-propyl-,ethylester(9CI)
2-[5-(Pyrrolidin-1-yl)-2H-tetrazol-2-yl]ethanoic acid, 2-(Carboxymethyl)-5-(pyrrolidin-1-yl)-2H-tetrazole
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
(S)-2-AMINO-3-(4-FLUOROPHENYL)-2-METHYLPROPANOIC ACID
1-Cyclopentene-1-carboxylicacid,2-[[(1-methylethyl)amino]carbonyl]-(9CI)
Pyrrolidine, 2-(2,4-difluorophenyl)-4-methyl- (9CI)
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
METHYL 4-(HYDROXYMETHYL)-1,2,5-TRIMETHYL-1H-PYRROLE-3-CARBOXYLATE
3,7-dimethyl-1-(trideuteriomethyl)purine-2,6-dione
1,3-dimethyl-7-(trideuteriomethyl)purine-2,6-dione
Methyl 4-(methylamino)bicyclo[2.2.2]octane-1-carboxylate
5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-[(1-methylethyl)amino]-4-oxo- (9CI)
N6-Ethyl-4,5,6,7-tetrahydro-2,6-benzothiazolediaMine
4-HYDROXYMETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
3-[(2-Methoxyethyl)(methyl)amino]propanoic acid hydrochloride
4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
2-Amino-3-methyl-5,5-dipropyl-3,5-dihydro-4H-imidazol-4-one
1H-Benzimidazole,2-(4,5-dihydro-3-pyridinyl)-(9CI)
1H-Imidazole-4-carboxylicacid,5-amino-2-(1,1-dimethylethyl)-,methylester
(2-((dimethylamino)Methyl)-5-fluorophenyl)boronic acid
1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carboxylic acid
Carnitine chloride
Carnitine chloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=461-05-2 (retrieved 2024-07-09) (CAS RN: 461-05-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (±)-Carnitine chloride exists in two isomers, known as D and L. L-carnitine plays an essential role in the β-oxidation of fatty acids and also shows antioxidant, and anti-inflammatory activities. (±)-Carnitine chloride exists in two isomers, known as D and L. L-carnitine plays an essential role in the β-oxidation of fatty acids and also shows antioxidant, and anti-inflammatory activities.
(1-AMINOMETHYL-CYCLOPENTYL)-CARBAMICACIDTERT-BUTYLESTER
(TETRAHYDROFURAN-2-YLMETHYL)(3-THIENYLMETHYL)AMINE
ethyl 6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
Ethanethiol,2-[bis(1-methylethyl)amino]-, hydrochloride (1:1)
2-Amino-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carbonitrile
4,4-Dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Chrysogedone B
A pyridone that is pyridin-2(1H)-one substituted by a hydroxymethyl group at position 6 and a 1-hydroxybutyl group at position 5. It has been isolated from Penicillium chrysogenum.
Pildralazine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
3-Acetyl-4-hydroxy-5-(2-methylpropyl)-1,5-dihydro-2H-pyrrol-2-one
1-(5-Tert-butyl-1,3,4-oxadiazol-2-YL)-2-(methylamino)ethanone
(2S)-2-Amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-YL)propan-1-one
Ecgonone methyl ester
The methyl ester of (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic acid (ecgonone).
7-deoxyloganetate
A monocarboxylic acid anion that is the conjugate base of 7-deoxyloganetic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate
3-(2,6-Dimethylpiperidin-1-yl)-5-imino-4,5-dihydro-1,2,3-oxadiazol-3-ium
(E)-dodec-2-enoate
An unsaturated fatty acid anion that is the conjugate base of trans-2-dodecenoic acid obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-[(1R)-2-(dimethylamino)-1-hydroxyethyl]benzene-1,2-diol
DESGLYMIDODRINE
Desglymidodrine (ST 1059), the active metabolite of Midodrine (HY-12749), is a selective α1-adrenoceptor agonist. Desglymidodrine is an effective arterial and venous vasoconstrictor and can be used to regulate blood pressure[1][2].
(5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione
Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol
A monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group.
Fluoroethylnormemantine
Fluoroethylnormemantine, a derivative of Memantine, is an antagonist of the N-methyl-D-aspartate (NMDA) receptor. [18F]-Fluoroethylnormemantine can be used as a positron emission tomography (PET) tracer. Fluoroethylnormemantine exhibits anti-amnesic, neuroprotective, antidepressant-like and fear-attenuating effects[1][2][3].
