Exact Mass: 244.2155
Exact Mass Matches: 244.2155
Found 290 metabolites which its exact mass value is equals to given mass value 244.2155,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N1-Acetylspermine
N1-Acetylspermine belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group. N1-Acetylspermine exists in all living species, ranging from bacteria to humans. Outside of the human body, N1-Acetylspermine has been detected, but not quantified in several different foods, such as purple lavers, jutes, yams, pineapples, and fireweeds. This could make N1-acetylspermine a potential biomarker for the consumption of these foods. N1-Acetylspermine is a polyamine that has been postulated to be an intermediate in the conversion of spermine to spermidine. N1-Acetylspermine is a polyamine that has been postulated to be an intermediate in the conversion of spermine to spermidine [HMDB]. N1-Acetylspermine is found in many foods, some of which are chinese cinnamon, purple laver, common sage, and mexican oregano. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A111; [MS2] KO008807 KEIO_ID A111; [MS3] KO008809 KEIO_ID A111; [MS3] KO008808 KEIO_ID A111
Xylometazoline
A nasal vasoconstricting decongestant drug which acts by binding to the same receptors as adrenaline. It is applied as a spray or as drops into the nose to ease inflammation and congestion of the nasal passageways. It binds alpha-adrenergic receptors to activate the adrenal system which causes systemic vasoconstriction, thereby easing nasal congestion. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AB - Sympathomimetics, combinations excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3031
2-Hydroxymyristic acid
2-Hydroxymyristic acid is an analog of myristic acid that becomes metabolically activated in cells to form 2-hydroxymyristoyl-CoA, a potent inhibitor of myristoyl-CoA:protein N-myristoyltransferase, the enzyme that catalyzes protein N-myristoylation. Treatment of T cells with 2-hydroxymyristic acid inhibits the myristoylation and alters the stability of p56lck. (PMID 8103677) [HMDB] 2-Hydroxymyristic acid is an analog of myristic acid that becomes metabolically activated in cells to form 2-hydroxymyristoyl-CoA, a potent inhibitor of myristoyl-CoA:protein N-myristoyltransferase, the enzyme that catalyzes protein N-myristoylation. Treatment of T cells with 2-hydroxymyristic acid inhibits the myristoylation and alters the stability of p56lck. (PMID 8103677).
Leucyl-leucine
Leucylleucine is a dipeptide composed of two leucine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Leu-Leu-OH, a Leu derivative, is a dipeptide.
Panaxynol
Panaxynol is found in carrot. Panaxynol is isolated from ginsen Carrotatoxin, also known as falcarinol, (Z)-isomer or panaxynol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Carrotatoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carrotatoxin can be found in carrot and wild carrot, which makes carrotatoxin a potential biomarker for the consumption of these food products.
UNII:FL8S7F2JJQ
A 3-hydroxytetradecanoic acid that has R configuration at position 3. It plays an intermediate role in fatty acid biosynthesis.
(R)-3-Hydroxy-tetradecanoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-tetradecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-tetradecanoic acid is converted from 3-Oxo-tetradecanoic acid via fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (EC: 2.3.1.85 and EC:2.3.1.41) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-tetradecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-tetradecanoic acid is converted from 3-Oxo-tetradecanoic acid via fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (EC: 2.3.1.85 and EC:2.3.1.41).
4-Acetyl-6-tert-butyl-1,1-dimethylindane
4-Acetyl-6-tert-butyl-1,1-dimethylindane is a flavouring ingredien Flavouring ingredient D003358 - Cosmetics
Isoleucyl-Isoleucine
Isoleucyl-Isoleucine is a dipeptied compoosed of two isoleucine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Isoleucine
Leucyl-Isoleucine is a dipeptide composed of leucine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1,11-Undecanedicarboxylic acid
1,11-Undecanedicarboxylic acid, also known as 1,13-tridecanedioic acid or brassilic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 1,11-Undecanedicarboxylic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Undecanedicarboxylic acid is an unusual odd-numbered dicarboxylic acid that appears in the urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome, as an additional marker of these peroxisomal disorders. (PMID: 2943344) [HMDB] Tridecanedioic acid is an endogenous metabolite.
Isoleucyl-Leucine
Isoleucyl-Leucine is a dipeptide composed of isoleucine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
3-(L-Menthoxy)-2-methylpropane-1,2-diol
3-(L-Menthoxy)-2-methylpropane-1,2-diol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Menthyl ethylene glycol carbonate
Menthyl ethylene glycol carbonate is a physiological cooling agent used in foods. Strong mint flavorant used in chewing gu Physiol. cooling agent used in foods. Strong mint flavorant used in chewing gum
(±)-1,4-Nonanediol diacetate
(±)-1,4-Nonanediol diacetate is a flavouring ingredient. Flavouring ingredient
Ethyl 3-hydroxydodecanoate
Ethyl 3-hydroxydodecanoate belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
3-hydroxymyristate
3-Hydroxytetradecanoic acid (CAS: 1961-72-4) is a long-chain hydroxy fatty acid. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxytetradecanoic acid is the most common fatty acid constituent of the lipid A component of bacterial lipopolysaccharides (LPS). 3-Hydroxytetradecanoic acid can be found in feces
4-(4-Aminophenyl)-2,2,6,6-tetramethylcyclohex-3-en-1-amine
N1,N11-Bis(ethyl)norspermine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000970 - Antineoplastic Agents
(8R,9R,10S,13S,14S)-13-Methyl-1,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
3-HYDROXYMYRISTIC ACID
A 3-hydroxy fatty acid that is tetradecanoic (myristic) acid substituted at position 3 by a hydroxy group
(all-E)-8,10,16-Heptadecatrien-6-yn-3-one|heptadeca-8t,10t,16-trien-6-yn-3-one|Heptadecatrien-(1.7-trans.9-trans)-in-(11)-on-(15)
(E)-form-2-(1-Tridecen-12-ynyl)furan|13-(2-furyl)-tridec-12E-en-1-yne|avocadynenofuran
Megastigm-7-ene-3,5,6,9-tetraol
Megastigm-7-ene-3,5,6,9-tetraol is a natural product found in Cestrum parqui with data available.
(+)-(5S,10S)-13-hydroxypodocarpa-8,11,13-triene|(+)-13-hydroxypodocarpa-8,11,13-triene|13-hydroxy-13-deisopropyldehydroabietane|13-hydroxy-8,11,13-podocarpatriene|podocarpa-8,11,13-trien-13-ol|trans-7-Hydroxy-1,1,12-trimethyl-1,2,3,4,9,10,11,12-octahydro-phenanthren
(all-E)-1,7,9,13-Heptadecatetraen-11-yn-3-ol|heptadeca-1,7t,9t,13t-tetraen-11-yn-3-ol|Heptadecatetraen-(1.7trans.9trans.13trans)-in-(11)-ol-(3)
14-hydroxymyristic acid
A long-chain fatty acid that is myristic (tetradecanoic) acid substituted at position 14 by a hydroxy group.
(E)-1,9-Heptadecadiene-11,13-diyn-8-ol|9-trans-Heptadecadien-(1.9)-diin-(11.13)-ol-(8)|heptadeca-1,9t-diene-11,13-diyn-8-ol
(1R,2S,4S)-2-(1-Hydroxy-6-methylheptyl)-4-hydroxymethylbutanolide|Dihydro-5-(hydroxymethyl)-3-(1-hydroxy)-2(3H)-furanone
(2Z,9Z)-heptadecadiene-4,6-diyn-1-ol|Heptadeca-2c,9c-dien-4,6-diin-1-ol|heptadeca-2c,9c-diene-4,6-diyn-1-ol|Heptadeca-2c.9c-dien-4.6-diin-1-ol
12-Methyl-tetradecandiol-(1,2)|12-methyl-tetradecane-1,2-diol
(Z)-9,16-Heptadecadiene-4,6-diyn-3-ol|Heptadeca-4,6-diin-Z-9,16-dien-3-ol|heptadeca-9c,16-diene-4,6-diyn-3-ol
2, 3-Dihydroenanthetol|2,3-dihydrooenanthetol|2.3-Dihydro-oenanthetol|heptadeca-8t,10t-diene-4,6-diyn-1-ol
(all-E)-4,8,10,16-Heptadecatetraen-6-yn-3-ol|heptadeca-4t,8t,10t,16-tetraen-6-yn-3-ol|Heptadecatetraen-(1,7t,9t,13t)-in-(11)-ol-(15)|Heptadecatetraen-(1.7trans.9trans.13trans)-in-(11)-ol-(15)
(2Z,7E,9E,13E)-2,7,9,13-Heptadecatetraen-11-yn-1-ol|heptadeca-2c,7t,9t,13t-tetraen-11-yn-1-ol|Heptadecatetraen-(2c,7t,97,13t)-in-(11)-ol-(1)|Heptadecatetraen-(2cis.7trans.9trans.13trans)-in-(11)-ol-(1)
TRIDECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. Tridecanedioic acid is an endogenous metabolite.
CELESTOLIDE
D003358 - Cosmetics CONFIDENCE standard compound; INTERNAL_ID 2447
Brassylic acid
CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5003; ORIGINAL_PRECURSOR_SCAN_NO 5002 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5063; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5052; ORIGINAL_PRECURSOR_SCAN_NO 5051 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5103; ORIGINAL_PRECURSOR_SCAN_NO 5099 CONFIDENCE standard compound; INTERNAL_ID 426; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5016; ORIGINAL_PRECURSOR_SCAN_NO 5015 Tridecanedioic acid is an endogenous metabolite.
2-Hydroxymyristic acid
A derivative of myristic acid having a hydroxy substituent at C-2.
Ile-ile
A dipeptide formed from two L-isoleucine residues.
Ile-leu
A dipeptide formed from L-isoleucine and L-leucine residues.
Leu-ile
A dipeptide formed from L-leucine and L-isoleucine residues.
3-laevo-menthoxy-2-methyl propane-1,2-diol
Falcarinol
Panaxynol is a long-chain fatty alcohol. It has a role as a metabolite. Falcarinol is a natural product found in Chaerophyllum aureum, Cussonia arborea, and other organisms with data available. A natural product found in Panax ginseng and Angelica japonica.
(S)-2-(3-(TERT-BUTYL)-3-METHYLUREIDO)-3,3-DIMETHYLBUTANOIC ACID
2-ETHYL-5-METHYLPYRAZINE
2-ethyl-5-methylpyrazine, 9ci, 8ci, also known as 2,5-methylethylpyrazine or fema 3154, 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. 2-ethyl-5-methylpyrazine, 9ci, 8ci is soluble (in water) and a moderately basic compound (based on its pKa). 2-ethyl-5-methylpyrazine, 9ci, 8ci is a sweet, bean, and coffee tasting compound and can be found in a number of food items such as cereals and cereal products, fenugreek, coffee and coffee products, and tea, which makes 2-ethyl-5-methylpyrazine, 9ci, 8ci a potential biomarker for the consumption of these food products.
tert-Butyl 4-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylate
METHYL-(2-PYRROLIDIN-1-YLMETHYL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-AMINE
6-butyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester
2-dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethyl-d6-carbamate
(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine
tert-butyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
isoaminile
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
4-(2-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester
bicyclo[2.2.1]hepta-2,5-diene,ethene,(4E)-hexa-1,4-diene,prop-1-ene
(2R,4S)-2-Phenyl-2-isopropyl-4-(dimethylamino)pentanenitrile
13-Hydroxytetradecanoic acid
An (omega-1)-hydroxy fatty acid that is myristic acid in which one of the methylene hydrogens at position 13 is replaced by a hydroxy group.
2-Hydroxyethyl laurate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
1,1,3,3,5-Pentamethyl-2,4,4a,9b-tetrahydropyrido[4,3-b]indole
Leu-leu
A dipeptide formed from two L-leucine residues. Leu-Leu-OH, a Leu derivative, is a dipeptide.
(3R,4R)-4-(hydroxymethyl)-3-[(1R)-1-hydroxyoctyl]oxolan-2-one
Dihydro-4alpha-(hydroxymethyl)-3beta-[(R)-6-methyl-1-hydroxyheptyl]furan-2(3H)-one
(8R,9R,10S,13S,14S)-13-Methyl-1,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
(2R)-2-hydroxytetradecanoic acid
A 2-hydroxymyristic acid having 2R-configuration.
(2S)-1-[(2S)-2,6-bis(azaniumyl)hexanoyl]pyrrolidine-2-carboxylate
(13R)-13-hydroxymyristic acid
An (omega-1)-hydroxy fatty acid that is myristic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group.
xylometazoline
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AB - Sympathomimetics, combinations excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Leu-Leu zwitterion
An L-aminoacyl-L-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-leucyl-L-leucine; major species at pH 7.3.
N-(6-aminohexanoyl)-6-aminohexanoic acid zwitterion
Zwitterionic form N-(6-aminohexanoyl)-6-aminohexanoic acid.
Ile-Leu zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ile-Leu.
Lys-Pro(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Pro; major species at pH 7.3.
(2S)-2-hydroxytetradecanoic acid
A 2-hydroxymyristic acid having 2S-configuration.
N(1)-Acetylspermine
An acetylspermine carrying an acetyl group at position N(1).
(S)-3-hydroxytetradecanoic acid
A C14, long-chain hydroxy fatty acid and enantiomer of the biologically active (R)-3-hydroxytetradecanoic acid.
1-[2-hydroxy-4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
ethyl (2r)-2-[(2r,5s)-5-[(2s)-2-hydroxybutyl]oxolan-2-yl]propanoate
4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
5-(3-hydroxybut-1-en-1-yl)-4-(hydroxymethyl)-4,6-dimethylcyclohexane-1,3-diol
2-[5-(3-hydroxyhexan-2-yl)oxolan-2-yl]propanoic acid
(1s,3s,4r,5s,6r)-5-[(1e,3r)-3-hydroxybut-1-en-1-yl]-4-(hydroxymethyl)-4,6-dimethylcyclohexane-1,3-diol
(2E,9Z)-heptadecadiene-4,6-diyn-1-ol
{"Ingredient_id": "HBIN005578","Ingredient_name": "(2E,9Z)-heptadecadiene-4,6-diyn-1-ol","Alias": "NA","Ingredient_formula": "C17H24O","Ingredient_Smile": "CCCCCCCC=CCC#CC#CC=CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42447","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S,SR,6R,7E;9S)-megastiman-7-ene-3,5,6,9-tetrol
{"Ingredient_id": "HBIN009731","Ingredient_name": "(3S,SR,6R,7E;9S)-megastiman-7-ene-3,5,6,9-tetrol","Alias": "NA","Ingredient_formula": "C13H24O4","Ingredient_Smile": "CC(C=CC1(C(CC(CC1(C)O)O)(C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alcarinol
{"Ingredient_id": "HBIN015093","Ingredient_name": "alcarinol","Alias": "NA","Ingredient_formula": "C17H24O","Ingredient_Smile": "CCCCCCCC=CCC#CC#CC(C=C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33314","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
