Exact Mass: 202.2123192
Exact Mass Matches: 202.2123192
Found 314 metabolites which its exact mass value is equals to given mass value 202.2123192,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Spermine
Spermine, also known as gerontine or musculamine, belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. The resultin N-carbamoylputrescine is acted on by a hydrolase to split off urea group, leaving putrescine. The precursor for synthesis of spermine is the amino acid ornithine. The intermediate is spermidine. Spermine is a drug. Spermine exists in all living species, ranging from bacteria to humans. 5-methylthioadenosine and spermine can be biosynthesized from S-adenosylmethioninamine and spermidine through its interaction with the enzyme spermine synthase. Another pathway in plants starts with decarboxylation of L-arginine to produce agmatine. In humans, spermine is involved in spermidine and spermine biosynthesis. Outside of the human body, spermine is found, on average, in the highest concentration in oats. Spermine has also been detected, but not quantified in several different foods, such as sapodilla, mexican groundcherries, cloves, sourdocks, and sunflowers. This could make spermine a potential biomarker for the consumption of these foods. This decarboxylation gives putrescine. The name spermin was first used by the German chemists Ladenburg and Abel in 1888, and the correct structure of spermine was not finally established until 1926, simultaneously in England (by Dudley, Rosenheim, and Starling) and Germany (by Wrede et al.). In one pathway L-glutamine is the precursor to L-ornithine, after which the synthesis of spermine from L-ornithine follows the same pathway as in animals. Spermine is a potentially toxic compound. [Spectral] Spermine (exact mass = 202.21575) and Spermidine (exact mass = 145.1579) 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. Occurs as phosphate in ox pancreas, yeast and meat products IPB_RECORD: 270; CONFIDENCE confident structure KEIO_ID S011; [MS2] KO009230 KEIO_ID S011 Spermine (NSC 268508) functions directly as a free radical scabenger to protect DNA from free radical attack. Spermine has antiviral effects. Spermine (NSC 268508) functions directly as a free radical scabenger to protect DNA from free radical attack. Spermine has antiviral effects.
hexamethonium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005730 - Ganglionic Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D006584 - Hexamethonium Compounds D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
(-)-alpha-Curcumene
1-[(2R)-hex-5-en-2-yl]-4-methylbenzene is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. (-)-alpha-Curcumene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
N(4)-aminopropylspermidine
A polyazaalkane that is spermidine in which the amino hydrogen at postion 4 is replaced by a 3-aminopropyl group
(E)-Calamene
Calamene is a metabolite of plant Turnera diffusa. Turnera diffusa (Damiana, Mexican holly, Old Womans Broom) is a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico. The leaf includes volatile oils (1,8-cineole, p-cymene, alpha- and beta-pinene, thymol, alpha-copaene, and calamene); luteolin; tannins, flavonoids (arbutin, acacetin, apigenin and pinocembrin), beta-sitosterol, damianin, and the cyanogenic glycoside tetraphyllin B. (www.globinmed.com) (e)-calamene is also known as calamenene or 1,6-dimethyl-4-isopropyltetralin. (e)-calamene can be found in a number of food items such as guava, lovage, summer savory, and rosemary, which makes (e)-calamene a potential biomarker for the consumption of these food products (e)-calamene can be found primarily in urine.
alpha-Curcumene
alpha-Curcumene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
beta-Spathulene
Constituent of the the oil of Schinus molle (California peppertree). beta-Spathulene is found in herbs and spices, beverages, and fruits. beta-Spathulene is found in beverages. beta-Spathulene is a constituent of the the oil of Schinus molle (California peppertree).
beta-Vatirenene
Beta-vatirenene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
1,4,9-Cadinatriene
1,4,9-Cadinatriene is found in herbs and spices. 1,4,9-Cadinatriene is a constituent of Acorus calamus (sweet flag). Constituent of Acorus calamus (sweet flag). 1,4,9-Cadinatriene is found in herbs and spices and root vegetables.
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables. (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is a constituent of the essential oil of Cyperus rotundus (nutgrass). Constituent of the essential oil of Cyperus rotundus (nutgrass). (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables.
(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene
(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene is a constituent of Tolu balsam (Myroxylon balsamum var. balsamum). (6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene is a flavouring agent Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Flavouring agent
Caproylcholine
Caproylcholine is a fatty acid-choline as the ester product of Caproic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. Caproylcholine is a fatty acid-choline as the ester product of Caproic acid and cholinel.
Acetaldehyde diisoamyl acetal
Acetaldehyde diisoamyl acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1,1-Dimethoxydecane
1,1-Dimethoxydecane is a flavouring ingredient. Flavouring ingredient
beta-Vetivenene
beta-Vetivenene belongs to the family of Bicyclic Monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.
Calamenene
Calamenene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
Cuparene
Cuparene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cuparene is considered to be an isoprenoid lipid molecule. Cuparene can be found in lovage and pepper (spice), which makes cuparene a potential biomarker for the consumption of these food products.
1-S-cis-Calamenene
(E)-Calamene, also known as calamenene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (E)-Calamene is possibly neutral. (E)-Calamene is found in highest concentrations in allspices, common oregano, and rosemaries and in lower concentrations in lovages. (E)-Calamene has also been detected in cloves, guava, summer savories, sweet basils, and pepper (spice). This could make (E)-calamene a potential biomarker for the consumption of these foods. Calamene is a metabolite of plant Turnera diffusa (Damiana, Mexican holly, Old Womans Broom), a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico. 1-s-cis-calamenene, also known as (7r,10r)-calamenene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 1-s-cis-calamenene is a herb and spice tasting compound found in rosemary, which makes 1-s-cis-calamenene a potential biomarker for the consumption of this food product.
(3E,5E,8E)-3,7,11-Trimethyldodeca-1,3,5,8,10-pentaene
(4aR-trans)-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene
1,3,7(11),8-Elematetraene
(3E,5E,8Z)-3,7,11-Trimethyldodeca-1,3,5,8,10-pentaene
1,12-Dodecanediol
A medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 12.
(+)-4-methyl-9-methylene-bicyclo[8.2.1]trideca-1(13),4-diene|(+)-isozierene
(4S,4aS,8aS)-8a-methyl-5-methylene-4-(1-methylvinyl)-1,2,3,4,4a,5,6,8a-octahydro-naphthalene|(5S,6S,10S)-gorgona-1,4(15),11-triene
beta-Isovetivenen|beta-Vetispiren|beta-Vetispirene
(1S,6R,7S)-aromadendra-4,9-diene|1,1,4,7-tetramethyl-1a,2,4a,5,6,7b-hexahydro-1H-cyclopropa[e]azulene
(+)-(5S*,6S*,7S*)-aromadendra-1(10),4(15)-diene|1,1,4-trimethyl-7-methylene-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene
9-spiro(cyclopropa)-2,4,4,8-tetramethylbicyclo[4.3.0]nona-1,5-diene|teredenene
9-spiro(cyclopropa)-4,4,8-trimethyl-2-methylenbicyclo[4.3.0]non-1(6)-ene|terebanene
(2E,4E,9Z)-2,4,9-Pentadecatrien-6-yne|Pentadeca-2t,4t,9c-trien-6-in|pentadeca-2t,4t,9c-trien-6-yne
1,8,9,10-Tetradehydroaristolan|aristol-1(10),8-diene
Pentadeca-2t,4t,8t-trien-6-in|pentadeca-2t,4t,8t-trien-6-yne
alpha-Isovetivenen|beta-Isovetivenen|beta-Vetispiren
Spermine
A polyazaalkane that is tetradecane in which the carbons at positions 1, 5, 10 and 14 are replaced by nitrogens. Spermine has broad actions on cellular metabolism. Spermine (NSC 268508) functions directly as a free radical scabenger to protect DNA from free radical attack. Spermine has antiviral effects. Spermine (NSC 268508) functions directly as a free radical scabenger to protect DNA from free radical attack. Spermine has antiviral effects.
Caproylcholine
An acylcholine with an acyl group that is hexanoyl.
alpha-Curcumene
Alpha-curcumene is also known as α-curcumene. Alpha-curcumene is a herb tasting compound and can be found in a number of food items such as pepper (spice), lovage, wild carrot, and rosemary, which makes alpha-curcumene a potential biomarker for the consumption of these food products.
(2-AMINO-ETHYL)-PROPYL-CARBAMIC ACID TERT-BUTYL ESTER
Carbamic acid, [2-(propylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
Carbamic acid, [2-[(1-methylethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
1,1,4,4,6-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-, polymer with ethene and 1-propene
N-(3-aminopropyl)-N-[2-(dimethylamino)ethyl]propane-1,3-diamine
2-Methyl-2-Propanyl [2-Methyl-1-(Methylamino)-2-Propanyl]Carbamate
(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACIDMETHYLESTERHYDROCHLORIDE
Spermin
Spermine (NSC 268508) functions directly as a free radical scabenger to protect DNA from free radical attack. Spermine has antiviral effects. Spermine (NSC 268508) functions directly as a free radical scabenger to protect DNA from free radical attack. Spermine has antiviral effects.
(3R,8aR)-5,8a-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-
4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane
2,6,6,9-Tetramethyl-5alpha,8beta-tricyclo(6.3.0.0(1,5))undeca-2,9-diene
(-)-alpha-Curcumene
An alpha-curcumene that has R configuration at the chiral centre.
(4s,4ar)-4-isopropyl-1,6-dimethyl-3,4,4a,7-tetrahydronaphthalene
2,6,6-trimethyl-9-methylidenecycloundeca-1,3,7-triene
1,1,4,7-tetramethyl-1ah,2h,3h,5h,7ah,7bh-cyclopropa[e]azulene
(4as,7r,8ar)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-4,5,6,7,8,8a-hexahydronaphthalene
1,8a-dimethyl-8-(prop-1-en-2-yl)-2,3,4,8-tetrahydro-1h-naphthalene
1-methyl-6-methylidene-4-(propan-2-ylidene)-1,2,3,4a,5,8a-hexahydronaphthalene
(3e,5e,7r,8e)-3,7,11-trimethyldodeca-1,3,5,8,10-pentaene
(1r,2s,4r)-3,3,7,11-tetramethyltetracyclo[5.4.0.0¹,⁸.0²,⁴]undec-10-ene
(4r,5s)-4,8-dimethyl-1-(prop-1-en-2-yl)spiro[4.5]deca-1,7-diene
(1s,2r,4s,7s,8r)-3,3,7,11-tetramethyltetracyclo[5.4.0.0¹,⁸.0²,⁴]undec-10-ene
(1z,8z)-4,8,11,11-tetramethylbicyclo[7.2.0]undeca-1,4,8-triene
4,10,11,11-tetramethyltricyclo[5.3.1.0¹,⁵]undeca-2,4-diene
(1r,4as,8ar)-1-methyl-6-methylidene-4-(propan-2-ylidene)-1,2,3,4a,5,8a-hexahydronaphthalene
(2'r)-2',5',5'-trimethyl-7'-methylidene-2',3',4',6'-tetrahydrospiro[cyclopropane-1,1'-indene]
(5s)-2,5,9,9-tetramethyl-5,6,7,8-tetrahydrobenzo[7]annulene
(1s,7r,8ar)-1,8a-dimethyl-7-(prop-1-en-2-yl)-2,3,7,8-tetrahydro-1h-naphthalene
1-(1,2-dimethyl-3-methylidenecyclopentyl)-4-methylcyclohexa-1,4-diene
(1s,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
1-(1,5-dimethyl-4-hexenyl )-4-methyl
{"Ingredient_id": "HBIN000319","Ingredient_name": "1-(1,5-dimethyl-4-hexenyl )-4-methyl","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC=C(C=C1)C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42276","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(1r*,5s*,6r*,7s*,10s*)-myli-4(15)-ene
{"Ingredient_id": "HBIN003157","Ingredient_name": "(?)-(1r*,5s*,6r*,7s*,10s*)-myli-4(15)-ene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2CCC(=C)C2C3C(C3(C)C)CC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15135","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-(1s,6r,7s)-aromadendra-4,10(14)-diene
{"Ingredient_id": "HBIN003316","Ingredient_name": "(+)-(1s,6r,7s)-aromadendra-4,10(14)-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2C(CC1)C(=C)CCC3C2C3(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1757","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,6r,7s)-aromadendra-4,9-diene
{"Ingredient_id": "HBIN003317","Ingredient_name": "(1s,6r,7s)-aromadendra-4,9-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2C(CC1)C(=CCC3C2C3(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1756","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-(5s*,6s*,7s*)-aromadendra-1(10),4(15)-diene
{"Ingredient_id": "HBIN011950","Ingredient_name": "(+)-(5s*,6s*,7s*)-aromadendra-1(10),4(15)-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2CCC(=C)C2C3C(C3(C)C)CC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,14-anhydro-amorpha-4,9-diene
{"Ingredient_id": "HBIN012870","Ingredient_name": "7,14-anhydro-amorpha-4,9-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC2C(CC1)C(=CCC2=C(C)C)C","Ingredient_weight": "202.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1260","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91747867","DrugBank_id": "NA"}
α-Aryl Curcumene
{"Ingredient_id": "HBIN015384","Ingredient_name": "\u03b1-Aryl Curcumene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC=C(C=C1)C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34864","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-aromadendra-1(10),3-diene
{"Ingredient_id": "HBIN016883","Ingredient_name": "(?)-aromadendra-1(10),3-diene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=C2CC=C(C2C3C(C3(C)C)CC1)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1754","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta- Famesene
{"Ingredient_id": "HBIN018114","Ingredient_name": "beta- Famesene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC(=CC=CC(=CCCC(=C)C=C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-vatirenene
{"Ingredient_id": "HBIN018349","Ingredient_name": "\u03b2-vatirenene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1CC=CC2=CCC(=C(C)C)CC12C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39989","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisabola-1,3,5,7-tetraene
{"Ingredient_id": "HBIN018572","Ingredient_name": "bisabola-1,3,5,7-tetraene","Alias": "NA","Ingredient_formula": "C15H22","Ingredient_Smile": "CC1=CC=C(C=C1)C(=CCCC(C)C)C","Ingredient_weight": "202.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91749821","DrugBank_id": "NA"}