Exact Mass: 159.1339
Exact Mass Matches: 159.1339
Found 353 metabolites which its exact mass value is equals to given mass value 159.1339,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pargyline
Pargyline is only found in individuals that have used or taken this drug. It is a monoamine oxidase inhibitor with antihypertensive properties. [PubChem]MAOIs act by inhibiting the activity of monoamine oxidase, thus preventing the breakdown of monoamine neurotransmitters and thereby increasing their availability. There are two isoforms of monoamine oxidase, MAO-A and MAO-B. MAO-A preferentially deaminates serotonin, melatonin, epinephrine and norepinephrine. MAO-B preferentially deaminates phenylethylamine and trace amines. Pargyline functions by inhibiting the metabolism of catecholamines and tyramine within presynaptic nerve terminals. Catecholamines cause general physiological changes that prepare the body for physical activity (fight-or-flight response). Some typical effects are increases in heart rate, blood pressure, blood glucose levels, and a general reaction of the sympathetic nervous system. CONFIDENCE standard compound; INTERNAL_ID 504; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4653; ORIGINAL_PRECURSOR_SCAN_NO 4650 CONFIDENCE standard compound; INTERNAL_ID 504; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4679; ORIGINAL_PRECURSOR_SCAN_NO 4674 CONFIDENCE standard compound; INTERNAL_ID 504; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4619; ORIGINAL_PRECURSOR_SCAN_NO 4616 CONFIDENCE standard compound; INTERNAL_ID 504; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4667; ORIGINAL_PRECURSOR_SCAN_NO 4664 CONFIDENCE standard compound; INTERNAL_ID 504; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4647; ORIGINAL_PRECURSOR_SCAN_NO 4643 CONFIDENCE standard compound; INTERNAL_ID 504; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4653; ORIGINAL_PRECURSOR_SCAN_NO 4652 C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KC - Mao inhibitors CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1400 C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3004 KEIO_ID M071
Betonicine
Betonicine (4-hydroxy-L-prolinebetaine) and its cis isomer, turicine, are naturally occurring substituted pyrrolidines. It is not naturally produced by humans and can only be obtained through consumption of certain plant products. Betonicine was used as an analgesic 1000 years ago and is still available commercially from herbalists today. Betonicine has been isolated from Achillea millefolium L. (common yarrow) and probably from A. atrata L. (black yarrow); it is an alkaloid. Betonicine has been identified as a metabolically inert cell protectant that protects plants against extremes in osmolarity and growth temperatures. Betonicine is found in the fruit juices of yellow orange, blood orange, lemon, mandarin and bitter orange (PMID: 21838291) KEIO_ID B090
5-Acetamidovalerate
5-Acetamidovalerate is involved in the lysine degradation III pathway. It can be generated from the enzymatic reduction of 5-aminopentanoate or enzymatic oxidation of 2-keto-6-acetamidocaproate. Experiment using DL-{4,5-3H}lysine showed 5-acetamidovalerate as the major product. If radiolabeled N6-acetyl-L-lysine was used with added α-ketoglutarate, and pyridoxal phosphate, radiolabeled 2-keto-6-acetamidocaproate was produced. α-Ketoglutarate was preferred over pyruvate, and there was little or no dependence on pyridoxal phosphate. If thiamine pyrophosphate and NAD were added to a similar reaction, virtually all of the label was in 5-acetamidovalerate. If labeled 5-acetamidovalerate was used, labeled 5-aminovalerate (5-aminopentanoate) was identified. In addition, whole cell cultures of R. leguminicola incubated with labeled 5-acetamidovalerate accumulated radiolabeled glutarate. Whole cell cultures incubated with radiolabeled glutarate produced a mixture of tricarboxylic acid cycle acids and other carboxylic acids. 5-Acetamidovalerate is involved in the lysine degradation III pathway. It can be generated from the enzymatic reduction of 5-aminopentanoate or enzymatic oxidation of 2-keto-6-acetamidocaproate.
4,4'-Diaminodibutylamine
4,4-Diaminodibutylamine is found in cereals and cereal products. 4,4-Diaminodibutylamine is a constituent of the famine food Santalum album (sandalwood). 4,4-Diaminodibutylamine is a flavouring Constituent of the famine food Santalum album (sandalwood). Flavouring. 4,4-Diaminodibutylamine is found in soy bean and cereals and cereal products.
Calystegin A3
Alkaloid from Solanum tuberosum (potato). Calystegin A3 is found in many foods, some of which are eggplant, alcoholic beverages, potato, and sweet potato. Calystegin A3 is found in alcoholic beverages. Calystegin A3 is an alkaloid from Solanum tuberosum (potato).
Aminopropylcadaverine
Aminopropylcadaverine,a polyamine, is the final product of aminopropylcadaverine biosynthesis pathway. Polyamines are important for cell growth and are believed to be involved in many processes including DNA, RNA, and protein synthesis, as well as membrane integrity and resistance to stress, to name a few. Cadaverine and aminopropylcadaverine are alternative polyamines that can at least partially substitute for purtrescine and spermidine, the primary polyamines found in E. coli. Lysine is decarboxylated to form cadaverine which is then converted to aminopropylcadaverine by the aminopropyltransferase, SpeE. [HMDB] Aminopropylcadaverine,a polyamine, is the final product of aminopropylcadaverine biosynthesis pathway. Polyamines are important for cell growth and are believed to be involved in many processes including DNA, RNA, and protein synthesis, as well as membrane integrity and resistance to stress, to name a few. Cadaverine and aminopropylcadaverine are alternative polyamines that can at least partially substitute for purtrescine and spermidine, the primary polyamines found in E. coli. Lysine is decarboxylated to form cadaverine which is then converted to aminopropylcadaverine by the aminopropyltransferase, SpeE.
Isovalerylglycine
Isovalerylglycine (IVG) is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. Isovalerylglycine is a byproduct of the catabolism of the aminoacid leucine. Accumulation of isovalerylglycine occurs in Isovaleric Acidemia (IVA). IVA (OMIM/ McKusick 243500) is an autosomal recessive disorder caused by mutations in the isovaleryl-CoA dehydrogenase (EC 1.3.99.10) gene. The deficiency of this enzyme in the metabolism of leucine leads to the accumulation of a series of isovaleryl-CoA metabolites, such as isovalerylglycine. It is very important to caution for false positive results when screening for isovaleric acidemia by tandem mass spectrometry based on dried blood-spot levels of C5-acylcarnitines, including isovalerylcarnitine and its isomer, pivaloylcarnitine; pivaloylcarnitine is derived from pivalate-generating antibiotics, and has caused many false-positive results (PMID: 17850781). Isovalerylglycine is a biomarker for the consumption of cheese. Isovalerylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: N-Isovaleroylglycine is an acyl glycine and could be used as a biomarker for the predispositon for weight gain and obesity.
2-aminooctanoate
DL-2-Aminooctanoic acid, also known as a-aminocaprylate or alpha-aminocaprylic acid, belongs to the class of organic compounds known as 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). DL-2-Aminooctanoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Outside of the human body, DL-2-Aminooctanoic acid has been detected, but not quantified in cow milk. alpha-Aminooctanoic acid is an amino compound found occasionally in human urine. (PMID: 13447222)
Pregabalin
Pregabalin is an anticonvulsant drug used for neuropathic pain, as an adjunct therapy for partial seizures, and in generalized anxiety disorder. It was designed as a more potent successor to gabapentin. Pregabalin is marketed by Pfizer under the trade name Lyrica. It is considered to have a dependence liability if misused, and is classified as a Schedule V drug in the U.S. [Wikipedia] D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
N-Acetylvaline
N-Acetyl-L-valine or N-Acetylvaline, 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-Acetylvaline can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylvaline is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-valine. 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-acetylvaline 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 valine can also occur. Excessive amounts N-acetyl amino acids including N-acetylvaline(as well as N-acetylglycine, N-acetylserine, N-acetylmethionine, N-acetylglutamate, N-acetylalanine, N-acetylleucine and smaller amounts of N-acetylglutamine, N-acetylisoleucine, and N-acetylthreonine) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylthreonine, 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). N-acetylvaline is a derivative of valine, which is a branched chain essential amino acid. Valine is involved in carbohydrate metabolism. Valine deficiency is marked by neurological defects in the brain. Valine has also been established as a useful supplemental therapy to the ailing liver. [HMDB] Acetylvaline is an endogenous metabolite.
4-Hydroxystachydrine
4-hydroxystachydrine is a biomarker of citrus consumption found in urine.
3-Dehydrocarnitine
3-Dehydrocarnitine is a member of the carnitine family that is an intermediate in carnitine degradation. It can be formed from either D-carnitine or L-carnitine and the enzyme responsible for this oxidation reaction is (S)-carnitine 3-dehydrogenase (EC 1.1.1.254) or Carnitine 3-dehydrogenase (EC 1.1.1.108) respectively. Carnitine is a quaternary ammonium compound biosynthesized from the amino acids lysine and methionine. In living cells, it is required for the transport of fatty acids from the cytosol into the mitochondria during the breakdown of lipids (or fats) for the generation of metabolic energy. [HMDB] 3-Dehydrocarnitine is a member of the carnitine family that is an intermediate in carnitine degradation. It can be formed from either D-carnitine or L-carnitine and the enzyme responsible for this oxidation reaction is (S)-carnitine 3-dehydrogenase (EC 1.1.1.254) or carnitine 3-dehydrogenase (EC 1.1.1.108), respectively. Carnitine is a quaternary ammonium compound biosynthesized from the amino acids lysine and methionine. In living cells, it is required for the transport of fatty acids from the cytosol into the mitochondria during the breakdown of lipids (or fats) for the generation of metabolic energy.
Calystegine A7
Calystegine A7 is an alkaloid from the roots of Lycium chinense (Chinese boxthorn). Alkaloid from the roots of Lycium chinense (Chinese boxthorn)
Calystegine A6
Calystegine A6 is found in coffee and coffee products. Calystegine A6 is an alkaloid from and Lycium chinense (Chinese boxthorn
Medicanine
Medicanine is found in pulses. Medicanine is a amino acid from seeds of Medicago sativa (alfalfa). Amino acid from seeds of Medicago sativa (alfalfa). Medicanine is found in pulses.
2-Methylbutyrylglycine
2-Methylbutyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism, such as propionic acidemia. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. The isolated excretion of high levels of 2-methylbutyrylglycine (2-MBG) is the hallmark of short/branched-chain acyl-CoA dehydrogenase deficiency or SBCADD (PMID:15615815). The disorder is also called 2-methylbutyryl-CoA dehydrogenase deficiency (PMID: 17883863) and has been associated with autism and mental retardation. SBCADD is a recently described autosomal recessive disorder caused by a defect in the degradation pathway of L- isoleucine leading to increased urinary excretion of 2-methylbutyryl glycine. The enzymatic defect results from disruption of the SBCAD gene. Deficiency of SBCAD leads to accumulation of its substrate, 2-methylbutyryl-CoA within the mitochondrion. This substance is transesterified with glycine by the mitochondrial enzyme acyl-CoA glycine-N-acyltransferase (glycine-N-acylase) to form 2-methylbutyryl glycine. Affected patients can be divided into two categories. The first category consists of infants detected by newborn screening programmes. These infants are treated with diet and remain without clinical symptoms. In the second category affected patients are diagnosed because they presented clinically with seizures and psychomotor delay and have increased urinary excretion of 2-methylbutyryl glycine (PMID: 17883863). 2-methylbutyrylglycine has also been found in the urine of patients with propionyl-CoA carboxylase deficiency after consuming isoleucine. (PMID: 630060). 2-methylbutyrylglycine is also elevated in the urine of patients with glutaric aciduria II and ethylmalonic encephalopathy. 2-Methylbutyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
Valerylglycine
Valerylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:acyl-CoA + glycine < -- > CoA + N-acylglycineValerylglycine are identified based on their liquid chromatographic-atmospheric pressure chemical ionization mass spectra (LC-APCI-MS)(PMID:8548022). Valerylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
(±)-2-Pentylthiazolidine
(±)-2-Pentylthiazolidine is a flavouring ingredient. Flavouring ingredient
Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate
Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
(2R,3S)-3-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
3-(Aminomethyl)-5-methylhexanoic acid
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
8-Aminooctanoic acid
8-Aminooctanoic acid is an omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. 8-aminooctanoic acid has a role as a human metabolite[1].
Dimethyldipropylenetriamine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3007
Valine betaine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; REWYJJRDEOKNBQ-UHFFFAOYSA-N_STSL_0040_Valine betaine_0500fmol_180407_S2_LC02_MS02_73; 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.
delta-Valerobetaine
delta-Valerobetaine is a precursor of trimethylamine N-oxide (TMAO).
Pregabalin
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BF - Gabapentinoids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1668 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3129
Isovalerylglycine
N-Isovaleroylglycine is an acyl glycine and could be used as a biomarker for the predispositon for weight gain and obesity.
N-Isovalerylglycine
An N-acylglycine in which the acyl group is specified as isovaleryl. N-Isovaleroylglycine is an acyl glycine and could be used as a biomarker for the predispositon for weight gain and obesity.
4-aminovaleric acid betaine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RXHVPPWXTMHWGY-UHFFFAOYSA-N_STSL_0042_4-aminovaleric acid betaine_0500fmol_180407_S2_LC02_MS02_81; 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.
5-Aminovaleric acid betaine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; CDLVFVFTRQPQFU-UHFFFAOYSA-N_STSL_0041_5-aminovaleric acid betaine_0500fmol_180407_S2_LC02_MS02_17; 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.
Norvaline betaine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; HLERILKGMXJNBU-UHFFFAOYSA-N_STSL_0039_Norvaline betaine_0125fmol_180407_S2_LC02_MS02_40; 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.
8-Aminooctanoic acid
An omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. 8-Aminooctanoic acid is an omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. 8-aminooctanoic acid has a role as a human metabolite[1].
3-Dehydrocarnitine
An ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3.
Carbamic acid, propyl-, 1,1-dimethylethyl ester (9CI)
3-Aminooctanoic acid
A beta-amino acid that is caprylic acid which is substituted by an amino group at position 3.
(R)-3-AMINO-4-(4-FLUOROPHENYL)BUTANOICACIDHYDROCHLORIDE
(+/-)-15-HYDROXY-5Z,8Z,11Z,13E,17Z-EICOSAPENTAENOICACID
(2S)-2-AMINO-3-(TETRAHYDROFURAN-3-YL)PROPANOIC ACID
(2R)-2-AMINO-3-(TETRAHYDROFURAN-3-YL)PROPANOIC ACID
1-(3-METHOXY-4,5-METHYLENEDIOXYPHENYL)-2-NITROETHANE
N-(2-Methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)-amine
(S)-2-AMINO-1-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPAN-2-OL
4-Piperidinecarboxylic acid, 4-hydroxy-1-methyl- (9CI)
Urea, N-[2-(dimethylamino)ethyl]-N,N-dimethyl- (9CI)
4-Piperidinecarboxylic acid,3-hydroxy-,methylester,cis-(9CI)
3-amino-2,2,3,3-tetramethylpropionic acid methyl ester
Methyl 4-aminotetrahydropyran-4-carboxylate hydrochloride
(+)-N-(O-CHLOROBENZYL)-ALPHA-METHYLPHENETHYLAMINEHYDROCHLORIDE
(3R,4R)-4-Aminotetrahydropyran-3-carboxylic acid methyl ester
(R*,S*)-4-HYDROXY-ALPHA-[1-(METHYLAMINO)ETHYL]BENZYLALCOHOL
(2S)-2-amino-3-(tetrahydro-2H-pyran-3-yl)propan-1-ol
Thiazolidine, 2,2-dimethyl-4-(1-methylethyl)-, (4S)- (9CI)
Methyl 4-Hydroxypiperidine-3-carboxylate
A piperidinecarboxylate ester that is the methyl ester of 4-hydroxypiperidine-3-carboxylic acid.
Methyl 4-hydroxypiperidine-2-carboxylate
A piperidinecarboxylate ester that is the methyl ester of 4-hydroxypiperidine-2-carboxylic acid.
2-Piperidinecarboxylicacid,5-hydroxy-,methylester,(2S,5S)
Methyl 3-hydroxypiperidine-1-carboxylate
A piperidinecarboxylate ester that is the methyl ester of 3-hydroxypiperidine-1-carboxylic acid.
N-(2-amino-2-methyl-propyl)-2-methyl-propane-1,2-diamine
Methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
A carbamate ester that is the methyl ester of 2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
Methyl 5-hydroxypiperidine-2-carboxylate
A piperidinecarboxylate ester that is the methyl ester of 5-hydroxypiperidine-2-carboxylic acid.
Methyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
A carbamate ester that is the methyl ester of 3-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
Methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
The methyl ester of 5-(hydroxymethyl)pyrrolidine-2-carboxylic acid.
Silanamine, N-(2,2-dimethylpropyl)-1,1,1-trimethyl-
1-Amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene
Pargyline
C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KC - Mao inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
betonicine
An amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.
5-acetamidopentanoic acid
A member of the class of acetamides that is the acetyl derivative of 5-aminopentanoic acid.
2-Aminocaprylic acid
An alpha-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group.
2-aminooctanoic acid zwitterion
An alpha-amino acid zwitterion that is 2-aminooctanoic acid in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
Aminopropylcadaverine
A polyazaalkane that is the 1,4,11-triaza derivative of undecane.
Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate
The methyl ester of 5-(hydroxymethyl)pyrrolidine-3-carboxylic acid.
N-(2-methylbutanoyl)glycine
A N-acylglycine that is glycine substituted by a 2-methylbutanoyl group at the N atom.
cis-4-hydroxy-D-proline betaine
An amino-acid betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.
(1s,2s,5s,7s)-8-azabicyclo[3.2.1]octane-1,2,7-triol
(1r,2s,3s,5r)-8-azabicyclo[3.2.1]octane-1,2,3-triol
2α,3β,23-trihydroxynortropane
{"Ingredient_id": "HBIN005209","Ingredient_name": "2\u03b1,3\u03b2,23-trihydroxynortropane","Alias": "NA","Ingredient_formula": "C7H13NO3","Ingredient_Smile": "C1C2C(CC(N2)C(C1O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21809","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3β,4α-trihydroxynortropane
{"Ingredient_id": "HBIN005216","Ingredient_name": "2\u03b1,3\u03b2,4\u03b1-trihydroxynortropane","Alias": "NA","Ingredient_formula": "C7H13NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21799","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3β,6-exo-trihydroxynortropane
{"Ingredient_id": "HBIN005218","Ingredient_name": "2\u03b1,3\u03b2,6-exo-trihydroxynortropane","Alias": "NA","Ingredient_formula": "C7H13NO3","Ingredient_Smile": "C1C2C(CC(N2)C(C1O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
