Exact Mass: 174.1619712
Exact Mass Matches: 174.1619712
Found 310 metabolites which its exact mass value is equals to given mass value 174.1619712,
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].
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
C9H20NO2+ (174.14939600000002)
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
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.
(±)-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
C9H20NO2+ (174.14939600000002)
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.
(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.
ionene
A member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively.
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
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
FA 9:0;O
(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)
1,1-Diethyl-N,N,N,N-tetramethylsilanediamine
C8H22N2Si (174.15521719999998)
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-(Trimethylaminio)-3-methylpentanoate
C9H20NO2+ (174.14939600000002)
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.
Deuterio-[4-[deuterio(dimethyl)silyl]butyl]-dimethylsilane
Deuterio-(deuterio-methyl-propylsilyl)-methyl-propylsilane
Muscarine
C9H20NO2+ (174.14939600000002)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
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"}
{[(2r,4r,5r)-4-hydroxy-5-methyloxolan-2-yl]methyl}trimethylazanium
[C9H20NO2]+ (174.14939600000002)
(1s,2r,3r)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
(5-methoxy-5-oxopentyl)trimethylazanium
[C9H20NO2]+ (174.14939600000002)