Exact Mass: 174.1589
Exact Mass Matches: 174.1589
Found 341 metabolites which its exact mass value is equals to given mass value 174.1589,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-(Dimethylaminomethyl)indole
3-(Dimethylaminomethyl)indole, also known as donaxin or (1H-indol-3-ylmethyl)dimethylamine, belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. 3-(Dimethylaminomethyl)indole has been detected, but not quantified, in several different foods, such as barley, brassicas, cereals and cereal products, common wheats, and lupines. This could make 3-(dimethylaminomethyl)indole a potential biomarker for the consumption of these foods. Gramine is an aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. It has a role as a plant metabolite, a serotonergic antagonist, an antiviral agent and an antibacterial agent. It is an aminoalkylindole, an indole alkaloid and a tertiary amino compound. It is a conjugate base of a gramine(1+). Gramine is a natural product found in Desmanthus illinoensis, Lupinus arbustus, and other organisms with data available. Isolated from cabbage and barley shoots. 3-(Dimethylaminomethyl)indole is found in many foods, some of which are cereals and cereal products, brassicas, common wheat, and barley. An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 14 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 37 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 44 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 22 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 58 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 29 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 7 KEIO_ID G041 Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1]. Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1]. Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1].
L-Arginine
Arginine (Arg), also known as L-argninine, belongs to the class of organic compounds known as L-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-asparagine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Arginine is found in all organisms ranging from bacteria to plants to animals. Arginine is an essential amino acid that is physiologically active in the L-form. It is classified as a charged, basic, aliphatic amino acid. Arginine is considered to be a basic amino acid as it has a strongly basic guanidinium group. With a pKa of 12.48, the guanidinium group is positively charged in neutral, acidic, and even most basic environments. Because of the conjugation between the double bond and the nitrogen lone pairs, the positive charge is delocalized. This group is able to form multiple H-bonds. In mammals, arginine is formally classified as a semi-essential or conditionally essential amino acid, depending on the developmental stage and health status of the individual. Infants are unable to effectively synthesize arginine, making it nutritionally essential for infants. Adults, however, are able to synthesize arginine in the urea cycle. L-Arginine is an amino acid that has numerous functions in the body. It helps dispose of ammonia, is used to make compounds such as nitric oxide, creatine, L-glutamate, and L-proline, and it can be converted into glucose and glycogen if needed. Arginine also plays an important role in cell division, immunity and wound healing. Arginine is the immediate precursor of nitric oxide (NO), an important signaling molecule which can act as a second messenger, as well as an intercellular messenger which regulates vasodilation, and also has functions in the immune systems reaction to infection. Nitric oxide is made via the enzyme nitric oxide synthase (PMID 10690324). Arginine is also a precursor for several important nitrogen-containing compounds including urea, ornithine, and agmatine. Arginine is necessary for the synthesis of creatine and can be used for the synthesis of polyamines (mainly through ornithine and to a lesser degree through agmatine, citrulline, and glutamate.) The presence of asymmetric dimethylarginine (ADMA) in serum or plasma, a close relative of argninine, inhibits the nitric oxide synthase reaction. ADMA is considered a marker for vascular disease, just as L-arginine is considered a sign of a healthy endothelium. In large doses, L-arginine also stimulates the release of the hormones growth hormone and prolactin. Arginine is a known inducer of mTOR (mammalian target of rapamycin) and is responsible for inducing protein synthesis through the mTOR pathway. mTOR inhibition by rapamycin partially reduces arginine-induced protein synthesis (PMID: 20841502). Catabolic disease states such as sepsis, injury, and cancer cause an increase in arginine utilization, which can exceed normal body production, leading to arginine depletion. Arginine also activates AMP kinase (AMPK) which then stimulates skeletal muscle fatty acid oxidation and muscle glucose uptake, thereby increasing insulin secretion by pancreatic beta-cells (PMID: 21311355). Arginine is found in plant and animal proteins, such as dairy products, meat, poultry, fish, and nuts. The ratio of L-arginine to lysine is also important: soy and other plant proteins have more L-arginine than animal sources of protein. [Spectral] L-Arginine (exact mass = 174.11168) and L-Histidine (exact mass = 155.06948) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. L-Arginine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=74-79-3 (retrieved 2024-06-29) (CAS RN: 74-79-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2]. L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2].
N-Methyltryptamine
N-Methyltryptamine (NMT), or monomethyltryptamine, is a tryptamine alkaloid that has been found in the bark, shoots and leaves of numerous plants. (wikipedia). N-Methyltryptamine was detected in urine from all autistic patients with mental retardation and epilepsy and many autistic patients (32/47) with mental retardation (PubMed ID 8747157 ). N-Methyltryptamine (NMT), or monomethyltryptamine, is a tryptamine alkaloid that has been found in the bark, shoots and leaves of numerous plants. (wikipedia)
(2S,4R,5S)-Muscarine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists Main toxic constituent of the fly fungus Amanita muscaria and various Inocybe specie
D-Arginine
D-Arginine, also known as D-2-amino-5-guanidinovaleric acid or (2R)-2-amino-5-guanidinopentanoate, is a member of the class of compounds known as D-alpha-amino acids. D-alpha-Amino acids are alpha amino acids which have the D-configuration of the alpha-carbon atom. D-Arginine is slightly soluble (in water). D-Arginine can be found in human epidermis and platelet tissues. Within the cell, D-arginine is primarily located in the peroxisome. In humans, D-arginine is involved in D-arginine and D-ornithine metabolism. Arginine (abbreviated as Arg or R) is an alpha-amino acid that is used in the biosynthesis of proteins. It is encoded by the codons CGU, CGC, CGA, CGG, AGA, and AGG. It contains an alpha-amino group, an alpha-carboxylic acid group, and a side chain consisting of a 3-carbon aliphatic straight chain ending in a guanidino group. At physiological pH, the carboxylic acid is deprotonated, the amino group is protonated, and the guanidino group is also protonated to give the guanidinium form (-C-(NH2)2+), making arginine a charged, aliphatic amino acid. It is the precursor for the biosynthesis of nitric oxide. D-Arginine is an essential amino acid that is physiologically active in the L-form. An essential amino acid that is physiologically active in the L-form. [HMDB]
Ne,Ne dimethyllysine
Ne,Ne dimethyllysine is an intermediate in lysine degradation. Ne,Ne dimethyllysine a methylated form of lysine found in histones that contributes to gene regulation.
DL-Arginine
DL-Arginine is used in physicochemical analysis of amino acid complexation dynamics and crystal structure formations. DL-Arginine is used in physicochemical analysis of amino acid complexation dynamics and crystal structure formations.
(±)-3-Hydroxynonanoic acid
(±)-3-Hydroxynonanoic acid is found in milk and milk products. (±)-3-Hydroxynonanoic acid is isolated from mil
xi-1-Ethoxy-1-hexyloxyethane
xi-1-Ethoxy-1-hexyloxyethane is found in fruits. Detected as a volatile component of strawberries. Detected as a volatile component of strawberries. xi-1-Ethoxy-1-hexyloxyethane is found in fruits.
5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene
5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene is found in fruits. 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene is a constituent of quince fruit flavour (Cydonia oblonga). Constituent of quince fruit flavour (Cydonia oblonga). 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene is found in quince and fruits.
(±)-Hydroxycitronellol
Hydroxycitronellol, also known as 3,7-dimethyl-1,7-octanediol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, hydroxycitronellol is considered to be a fatty alcohol lipid molecule. Hydroxycitronellol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, hydroxycitronellol is primarily located in the cytoplasm and in the membrane (predicted from logP). It can also be found in the extracellular space. (±)-Hydroxycitronellol is a flavouring ingredien
alpha-Ionene
Alpha-ionene, also known as α-ionene, is a member of the class of compounds known as tetralins. Tetralins are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Alpha-ionene can be found in carrot and wild carrot, which makes alpha-ionene a potential biomarker for the consumption of these food products. alpha-Ionene belongs to the family of Tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
Butyrylcholine
Butyrylcholine belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Butyrylcholine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Butyrylcholine is a synthetic compound and does not occur in the body naturally. It is used as a tool to distinguish between acetyl- and butyrylcholinesterase. Butyrylcholine is an acetylcholine-like molecule, with activation of some of the same receptors as acetylcholine. It is hydrolyzed by acetylcholinesterase and butyrylcholinesterase (also known as pseudocholinesterase), with butyrylcholinesterase being more efficient than acetylcholinesterase. Butyrylcholine is a nicotinic receptor agonist and mimics the action of acetylcholine (ACh) at both enteric and epithelial nicotinic acetylcholine receptors (nAChRs). Additionally, butyrylcholine is also able to stimulate muscarinic acetylcholine receptors (mAChRs) (PMID: 6481626, 27423041). Butyrylcholine is a synthetic compound and does not occur in the body naturally. It is used as a tool to distinguish between acetyl- and butyrylcholinesterase.; Butyrylcholine is an acetylcholine-like molecule, with activation of some of the same receptors as acetylcholine. It is hydrolysed by acetylcholinesterase and butyrylcholinesterase (also known as pseudocholinesterase), with butyrylcholinesterase being more efficient than acetylcholinesterase. [HMDB]
2-Butyl-1H-benzimidazole
2-Butyl-1H-benzimidazole is found in eggs. 2-Butyl-1H-benzimidazole is a constituent of chicken eggs. Constituent of chicken eggs. 2-Butyl-1H-benzimidazole is found in eggs.
2,4,6-Triethyl-1,3,5-trioxane
2,4,6-Triethyl-1,3,5-trioxane is a synthetic onion aroma. Synthetic onion aroma
1,1-Dimethoxyoctane
1,1-Dimethoxyoctane is a flavouring ingredient. Flavouring ingredient
1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene
1,2,3,4,tetrahydro-1,5,7-trimethylnapthalene belongs to the family of Tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
1-Methyl-4-(1-methyl-2-propenyl)-benzene
1-Methyl-4-(1-methyl-2-propenyl)-benzene belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
2-Amino-4-[carbamimidoyl(methyl)amino]butanoic acid
(S)-(+)-Curcumene
(s)-(+)-curcumene is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring (s)-(+)-curcumene can be found in ginger, which makes (s)-(+)-curcumene a potential biomarker for the consumption of this food product.
(1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol
(1r,2r,4r,5s)-(+)-p-menthane-2,5-diol is a member of the class of compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol can be found in cornmint, which makes (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol a potential biomarker for the consumption of this food product.
Isobutylidene
Isobutylidene, also known as isobutylidene diurea or diureido isobutane, is a member of the class of compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Isobutylidene is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isobutylidene can be found in wild celery, which makes isobutylidene a potential biomarker for the consumption of this food product.
Arginine
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2]. L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2].
5-Methyltryptamine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.329
1-isobutoxy-1-methoxy-3-methyl-butane|3-methyl-butyraldehyde isobutyl methyl acetal|3-Methylbutanalethylisobutylacetal
Arginine
An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.047 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045 Acquisition and generation of the data is financially supported by the Max-Planck-Society L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2]. L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2].
L-Arginine
An L-alpha-amino acid that is the L-isomer of arginine. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ODKSFYDXXFIFQN-BYPYZUCNSA-N_STSL_0099_L-Arginine_8000fmol_180506_S2_LC02_MS02_67; 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. L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2]. L-Arginine ((S)-(+)-Arginine) is the substrate for the endothelial nitric oxide synthase (eNOS) to generate NO. L-Arginine is transported into vascular smooth muscle cells by the cationic amino acid transporter family of proteins where it is metabolized to nitric oxide (NO), polyamines, or L-proline[1][2].
Gramine
Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 4 Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1]. Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1]. Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1].
N-(2-Cyanoethyl)-N-ethylaniline
CONFIDENCE standard compound; INTERNAL_ID 868; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8241; ORIGINAL_PRECURSOR_SCAN_NO 8239 CONFIDENCE standard compound; INTERNAL_ID 868; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8248; ORIGINAL_PRECURSOR_SCAN_NO 8243 CONFIDENCE standard compound; INTERNAL_ID 868; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8275; ORIGINAL_PRECURSOR_SCAN_NO 8274 CONFIDENCE standard compound; INTERNAL_ID 868; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8295; ORIGINAL_PRECURSOR_SCAN_NO 8293 CONFIDENCE standard compound; INTERNAL_ID 868; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8320; ORIGINAL_PRECURSOR_SCAN_NO 8319 CONFIDENCE standard compound; INTERNAL_ID 868; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8294; ORIGINAL_PRECURSOR_SCAN_NO 8289
2-(Ethyl(3-methylphenyl)amino)acetonitrile
CONFIDENCE standard compound; INTERNAL_ID 1123; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8241; ORIGINAL_PRECURSOR_SCAN_NO 8239 CONFIDENCE standard compound; INTERNAL_ID 1123; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8248; ORIGINAL_PRECURSOR_SCAN_NO 8243 CONFIDENCE standard compound; INTERNAL_ID 1123; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8275; ORIGINAL_PRECURSOR_SCAN_NO 8274 CONFIDENCE standard compound; INTERNAL_ID 1123; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8295; ORIGINAL_PRECURSOR_SCAN_NO 8293 CONFIDENCE standard compound; INTERNAL_ID 1123; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8320; ORIGINAL_PRECURSOR_SCAN_NO 8319 CONFIDENCE standard compound; INTERNAL_ID 1123; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8294; ORIGINAL_PRECURSOR_SCAN_NO 8289
DL-Arginine
Arginine is an alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. It has a role as a fundamental metabolite. It is an alpha-amino acid, a member of guanidines and a polar amino acid. It contains a 3-carbamimidamidopropyl group. It is a conjugate base of an argininium(1+). It is a conjugate acid of an argininate.
(S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLICACIDHYDROBROMIDE
4,5-Dihydro-2-methyl-1-(phenylmethyl)-1H-imidazole
3,6-Diazabicyclo[3.1.0]hexane,3-(phenylmethyl)-(9CI)
Pyrrolo[1,2-a]pyrazine, 1,3,6,7-tetramethyl- (9CI)
Pyrrolo[1,2-a]quinoxaline, 1,2,3,3a,4,5-hexahydro-, (-)- (9CI)
Quinoxaline, 1,2-dihydro-2,2,3-trimethyl- (8CI,9CI)
Pyrrolo[1,2-a]quinoxaline, 1,2,3,3a,4,5-hexahydro-, (3aR)- (9CI)
Pyrrolo[1,2-a]quinoxaline, 1,2,3,3a,4,5-hexahydro-, (3aS)- (9CI)
9-HYDROXYNONANOIC ACID
An omega-hydroxy fatty acid that is nonanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. 9-hydroxynonanoic acid, also known as 9-hydroxy pelargonate or omega-hydroxynonanoate, belongs to medium-chain hydroxy acids and derivatives class of compounds. Those are hydroxy acids with a 6 to 12 carbon atoms long side chain. Thus, 9-hydroxynonanoic acid is considered to be a fatty acid lipid molecule. 9-hydroxynonanoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 9-hydroxynonanoic acid can be synthesized from nonanoic acid. 9-hydroxynonanoic acid is also a parent compound for other transformation products, including but not limited to, oscr#10, (3R)-3,9-dihydroxynonanoic acid, and icos#10. 9-hydroxynonanoic acid can be found in potato, which makes 9-hydroxynonanoic acid a potential biomarker for the consumption of this food product.
(4R,5R)-4,5-Bis(aminomethyl)-2-isopropyl-1,3-dioxolane
Piperazine, 1,4-dihydroxy-2,2,5,6-tetramethyl- (9CI)
2-(1H-indol-1-yl)-N-methylethanamine(SALTDATA: oxalate)
Pyrrolo[1,2-a]quinoxaline, 1,2,3,3a,4,5-hexahydro- (8CI,9CI)
Pyrrolo[1,2-a]pyrazine, 1,3,4,7-tetramethyl- (9CI)
Pyrrolo[1,2-a]pyrazine, 1-ethyl-3,6-dimethyl- (9CI)
2-Hydroxynonanoic acid
A monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2.
spiro[5,6-dihydrocyclopenta[c]pyridine-7,2-pyrrolidine]
(R,R)-N1,N1-1,2-ethanediyl-bis[1,2-propanediamine]
N(6),N(6)-Dimethyl-L-lysine
An L-lysine derivative comprising L-lysine having two methyl substituents attached to the side-chain amino group. Ne,Ne dimethyllysine is an intermediate in lysine degradation. Ne,Ne dimethyllysine a methylated form of lysine found in histones that contributes to gene regulation. [HMDB]
Gramin
Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1]. Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1]. Gramine (Donaxine) is a natural alkaloid isolated from giant reed[2], acts as an active adiponectin receptor (AdipoR) agonist, with IC50s of 3.2 and 4.2 μM for AdipoR2 and AdipoR1, respectively[1]. Gramine is also a human and mouse β2-Adrenergic receptor (β2-AR) agonist[2]. Gramine (Donaxine) has anti-tumor, anti-viral and anti-inflammatory properties[1].
(8R)-8-hydroxynonanoic acid
An (omega-1)-hydroxy fatty acid that is nonanoic acid in which the 8-pro-R hydrogen is replaced by a hydroxy group.
2-(Pentyloxy)ethyl acetate
An acetate ester that is ethyl acetate substituted by a pentyloxy group at position 2.
(3S,4S)-3-hydroxy-4-methyloctanoic acid
A hydroxy fatty acid that is caprylic (octanoic) acid substituted at positions 3 and 4 by hydroxy and methyl grous respectively.
(3R)-3-amino-5-(diaminomethylideneamino)pentanoic acid
(2R)-2,3,3,4,4-pentadeuterio-5-(diaminomethylideneamino)-2-(dideuterioamino)pentanoic acid
Deuterio-[4-[deuterio(dimethyl)silyl]butyl]-dimethylsilane
Deuterio-(deuterio-methyl-propylsilyl)-methyl-propylsilane
DL-Arginine
DL-Arginine is used in physicochemical analysis of amino acid complexation dynamics and crystal structure formations. DL-Arginine is used in physicochemical analysis of amino acid complexation dynamics and crystal structure formations.
decane-1,2-diol
A glycol that is decane bearing two hydroxy substituents located at positions 1 and 2.
(R)-2-hydroxynonanoic acid
A nine-carbon straight-chain (2R)-2-hydroxy monocarboxylic acid.
1,9-decanediol
A diol that is decane substituted by hydroxy groups at position 1 and 9. It is a natural product found in rice root exudates and acts as an effective biological nitrification inhibitor for soil ammonia-oxidizing bacteria and archaea.
(5z)-5-[(2e)-but-2-en-1-ylidene]-1h,2h,3h,6h,7h,7ah-cyclopenta[b]pyridin-1-yl
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene
{"Ingredient_id": "HBIN001778","Ingredient_name": "1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene","Alias": "NA","Ingredient_formula": "C13H18","Ingredient_Smile": "CC1CCCC2=CC(=CC(=C12)C)C","Ingredient_weight": "174.28 g/mol","OB_score": "38.85527616","CAS_id": "NA","SymMap_id": "SMIT04214","TCMID_id": "NA","TCMSP_id": "MOL001861;MOL011880","TCM_ID_id": "NA","PubChem_id": "594547","DrugBank_id": "NA"}
2, 3-Dihydro-1, 1, 5, 6-tetramethyl-1H-indene
{"Ingredient_id": "HBIN003974","Ingredient_name": "2, 3-Dihydro-1, 1, 5, 6-tetramethyl-1H-indene","Alias": "NA","Ingredient_formula": "C13H18","Ingredient_Smile": "CC1=CC2=C(C=C1C)C(CC2)(C)C","Ingredient_weight": "174.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40792","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "523106","DrugBank_id": "NA"}
