Exact Mass: 212.1694
Exact Mass Matches: 212.1694
Found 500 metabolites which its exact mass value is equals to given mass value 212.1694,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3,3'-Dimethylbenzidine
CONFIDENCE standard compound; INTERNAL_ID 2434
Cucurbic acid
6-Epi-7-isocucurbic acid is found in nuts. 6-Epi-7-isocucurbic acid is a constituent of Vicia faba and Juglans regia (walnut). Constituent of Vicia faba and Juglans regia (walnut). 6-Epi-7-isocucurbic acid is found in pulses, nuts, and rye.
Traumatin
obtained from ripe miracle berry fruits (Thaumatococcus daniellii). Sweetener (5,000 times sweeter than sucrose), flavour enhancer for coffee, peppermint flavours etc. Permitted in EU at 50-400 ppm in chewing gum, vitamin preparations and some other sugar-free products. Use limited by slow contact and persistence of sensation Traumatin is found in tea. Traumatin is found in Thea sinensis chloroplasts Traumatin is a plant hormone produced in response to wound. Traumatin is a precursor to the related hormone traumatic acid.
1,4'-Bipiperidine-1'-carboxylic acid
This compound belongs to the family of Piperidinecarboxylic Acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
Dihydrojasmonic acid
9,10-Dihydrojasmonic acid is a member of Jasmonate derivatives. It is functionally related to a jasmonic acid. Dihydrojasmonic acid is a natural product found in Vicia with data available. Isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is found in many foods, some of which are pulses, broad bean, cereals and cereal products, and rye. Dihydrojasmonic acid is found in broad bean. Dihydrojasmonic acid is isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is a plant growth regulator[1].
Oxacyclotetradecan-2-one
Constituent of blackberries (Rubus species) and Angelica archangelica (angelica). Oxacyclotetradecan-2-one is found in fats and oils, fruits, and green vegetables. Oxacyclotetradecan-2-one is found in fats and oils. Oxacyclotetradecan-2-one is a constituent of blackberries (Rubus sp.) and Angelica archangelica (angelica).
4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone
Tentatively identified in oak used in wine and spirit maturation. 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone is found in alcoholic beverages. 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone is found in alcoholic beverages. Tentatively identified in oak used in wine and spirit maturation.
Methyl (E)-2-dodecenoate
Methyl (E)-2-dodecenoate is found in pomes. Methyl (E)-2-dodecenoate occurs in volatile component of pear Occurs in volatile component of pears. Methyl (E)-2-dodecenoate is found in pomes.
Tetradecanal
Isolated from lemon oil etc.; flavouring ingredient. Tetradecanal is found in many foods, some of which are parsley, lemon, ceylon cinnamon, and sweet orange. Tetradecanal is found in ceylan cinnamon. Tetradecanal is isolated from lemon oil etc. flavouring ingredien
2-Tetradecanone
2-Tetradecanone is found in alcoholic beverages. 2-Tetradecanone is a constituent of hop oil
Citronellyl propionate
Citronellyl propionate is found in garden tomato. Citronellyl propionate is a flavouring ingredient. Citronellyl propionate is a constituent of tomato. Flavouring ingredient. Constituent of tomato. Citronellyl propionate is found in garden tomato.
Ethyl 10-undecenoate
Ethyl 10-undecenoate is found in alcoholic beverages. Ethyl 10-undecenoate is a flavouring ingredient. Ethyl 10-undecenoate is found in rum and cogna Flavouring ingredient. Found in rum and cognac
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
10-Undecenyl acetate
10-Undecenyl acetate is a flavouring ingredien Flavouring ingredient
12-Methyltridecanal
12-Methyltridecanal 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 .
(±)-(E)-3-Methyl-4-decen-1-yl acetate
(±)-(E)-3-Methyl-4-decen-1-yl acetate is found in herbs and spices. (±)-(E)-3-Methyl-4-decen-1-yl acetate is a constituent of nutmeg oil. Constituent of nutmeg oil. (±)-(E)-3-Methyl-4-decen-1-yl acetate is found in herbs and spices.
Rhodinyl propionate
Rhodinyl propionate is a flavouring ingredient. Flavouring ingredient
1-Ethylhexyl tiglate
1-Ethylhexyl tiglate is a flavouring agent. Flavouring agent
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is found in tea. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is a flavouring ingredient with camphoraceous, woody, green odour. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is a constituent of black tea. Flavouring ingredient with camphoraceous, woody, green odour. Constituent of black tea [DFC]. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is found in tea.
1,1-Diethoxy-2,6-nonadiene
1,1-Diethoxy-2,6-nonadiene is a flavouring ingredient. Flavouring ingredient
2,6-Diisopropylnaphthalene
2,6-Diisopropylnaphthalene belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
2-(2-Cyclohexylethylhydrazono)propionic acid
(+)-1,2-Epoxyneomenthyl acetate
(+)-1,2-epoxyneomenthyl acetate is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (+)-1,2-epoxyneomenthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-1,2-epoxyneomenthyl acetate can be found in cornmint, which makes (+)-1,2-epoxyneomenthyl acetate a potential biomarker for the consumption of this food product.
[4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone
cis-(+)-2-(Ethoxymethyl)-4-hydroxy-5-(1-methylethyl)-2-cyclohexen
2-Benzyl-2-azabicyclo[2.2.1]heptane-6-carbonitrile
(2E)-5-(3,3-dimethyloxiranyl)-3-methylpent-2-enyl acetate|(E)-3,7-Dimethyl-6,7-epoxyoct-2-enyl acetate|(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl acetate|(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl acetate|1-methoxy-4-((3E,7E)-4,8,10-trimethylundeca-3,7,9-trienyl)benzene|epoxygeranyl acetate|trans-6,7-epoxy-3,7-dimethyl-2-octenyl acetate
1alpha(H),6beta(H)-2,2-dimethyl-9-ethylbicyclo-<4,4,0>-8-thiadecane|1alpha(H),6beta(H)-2,2-dimethyl-9-ethylbicyclo-[4,4,0]-8-thiadecane
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate
(E,E)-10-Hydroxy-3,7-dimethyl-2,6-decadienoic acid|3,7-dimethyl-10-hydroxy-2E,6E-decadienoic acid|trans,trans-10-Hydroxy-3,7-dimethyl-decadien-(2,6)-saeure
4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl acetate
1,3,3-trimethyl-2-oxabicyclo[2,2,2]oct-5-yl acetate
4-acetoxy-3-(3,3-dimethyl-oxiranylmethyl)-2-methyl-but-1-ene
δ-Tridecalactone
[Raw Data] CB089_delta-Tridecalactone_pos_20eV_CB000037.txt [Raw Data] CB089_delta-Tridecalactone_pos_10eV_CB000037.txt
2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one
4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-ol
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
6-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
HEXAHYDRO-PYRROLO[3,2-B]PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4,7-Diazaspiro[2.5]octane-7-carboxylic acid tert-butyl ester
tert-butyl octahydropyrrolo[2,3-c]pyrrole-1-carboxylate
tert-butyl 3-(cyclopropylamino)azetidine-1-carboxylate
tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-ylmethyl)carbamate
5-Amino-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CIS-TERT-BUTYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
METHYL-[2-PYRROLIDIN-1-YL-1-(TETRAHYDRO-PYRAN-4-YL)-ETHYL]-AMINE
Atipamezole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Atipamezole (MPV 1248) is a potent α2-adrenoceptor antagonist with a Ki of 1.6 nM[1].
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate
1,3,5,7-Tetraazabicyclo[3.3.1]nonane,3,7-diacetyl-
tert-butyl 4-(aminomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylat e
Brivaracetam
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C26170 - Protective Agent > C1509 - Neuroprotective Agent
TERT-BUTYL 5-METHYL-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE
TERT-BUTYL 3,7-DIAZABICYCLO[4.2.0]OCTANE-3-CARBOXYLATE
4-METHYLAMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER
N-methyl-1-(1-morpholin-4-ylcyclohexyl)methanamine
2-amino-2-cyano-N-(2-morpholin-4-ylethyl)acetamide
5-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
tert-Butyl 3,6-diazabicyclo[3.2.1]octane-6-carboxylate
tert-Butyl 2,5-diazaspiro[3.4]octane-2-carboxylate
(S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
TERT-BUTYL 1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE
(E)-2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
(2-METHYLBENZYL)(4-PYRIDINYLMETHYL)AMINE HYDROCHLORIDE
(R)-Methyl 1-(piperidin-4-yl)pyrrolidine-2-carboxylate
2,5-DIAZA-BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
[(1R,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]acet ic acid
Tert-Butyl 3,8-Diazabicyclo[3.2.1]Octane-3-Carboxylate
(R)-7-Tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane
6-amino-5-(butylamino)-1-methylpyrimidine-2,4-dione
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1-ethyl-3-propyl- (9CI)
ergoline
An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors.
5-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
(4-Isopropyl-1-methyl-7,8-dioxa-bicyclo[3.2.1]-octan-6-yl)methyl ketone
6-Acetyl-4-exo-isopropyl-1-methyl-7,8-dioxabicyclo[3.2.1]octane
tert-butyl (1R,2R,4S)-rel-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate
5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
tert-butyl (1R,6R)-4,8-diazabicyclo[4.2.0]octane-8-carboxylate
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, methyl ester
carbanide,(2S,5S)-1-cyclopentyl-2,5-diethylphospholane,iron(2+)
2-Methyl-2-Propanyl 3,8-Diazabicyclo[4.2.0]Octane-3-Carboxylate
1H-Imidazole,4-(6-ethyl-2,3-dihydro-1H-inden-1-yl)-(9CI)
(2R)-N-[(2R)-2-(Dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-N-[(5R)-5-(dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-L-prolinamide
[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid
(E)-11-methyldodec-2-enoic acid
An alpha,beta-unsaturated monocarboxylic acid that is trans-dodec-2-enoic acid in which one of the hydrogens at position 11 has been replaced by a methyl group.
[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-trimethylammonium
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-
2,2-Dimethyl-4-[(trimethylsilyl)methyl]-5-hexen-3-one
12-oxo-9(Z)-dodecenoic acid
A C12, omega-oxo fatty acid with a double bond at position 9; found in soybean, a metabolite of both linolenic and linoleic acids.
12-Oxo-trans-10-dodecenoic acid
A monounsaturated fatty acid comprising dodecanoic acid having a trans-double bond at the 10-position and a 12-oxo group.
(3r,6s)-3-isopropyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
(3s,6r)-3-isopropyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
[(1r,2r,3s)-3-hydroxy-2-[(2z)-pent-2-en-1-yl]cyclopentyl]acetic acid
(5r)-5-[(1r,3s,4r)-3-hydroxy-4-methylcyclohexyl]-5-methyloxolan-2-one
3-isopropyl-6-(sec-butyl)-3,6-dihydropyrazine-2,5-diol
3-ethoxy-7,7-dimethyl-hexahydro-2-benzofuran-5-one
(6e,8r,10r)-8-hydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(1r,4r)-4-[(3s)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-ol
2-hydroxy-2-methyl-6-methylideneoct-7-en-3-yl acetate
4-hydroxy-3-methyl-6-(4-methylpentyl)-5,6-dihydropyran-2-one
2-(ethoxymethyl)-4-hydroxy-5-isopropylcyclohex-2-en-1-one
(2s,3s,5s)-2,3-bis(hydroxymethyl)-5-(3-methylbut-2-en-1-yl)cyclopentan-1-one
1,2-epoxy-p-menthan-3-ol; (1s,2r,3s,4s)-form,ac
{"Ingredient_id": "HBIN000852","Ingredient_name": "1,2-epoxy-p-menthan-3-ol; (1s,2r,3s,4s)-form,ac","Alias": "NA","Ingredient_formula": "C12H20O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9575","PubChem_id": "NA","DrugBank_id": "NA"}
3-isopropyl-6-isobutyl-2,5-dioxopiperazine
{"Ingredient_id": "HBIN008771","Ingredient_name": "3-isopropyl-6-isobutyl-2,5-dioxopiperazine","Alias": "NA","Ingredient_formula": "C11H20N2O2","Ingredient_Smile": "CCC(C)C1C(=O)NC(C(=O)N1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16067","TCMID_id": "11621","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-isopropyl-6-isobutyl-2,5-piperazinedione
{"Ingredient_id": "HBIN008772","Ingredient_name": "3-isopropyl-6-isobutyl-2,5-piperazinedione","Alias": "NA","Ingredient_formula": "C11H20N2O2","Ingredient_Smile": "NA","Ingredient_weight": "212.29","OB_score": "59.65268551","CAS_id": "5625-50-3","SymMap_id": "SMIT13832","TCMID_id": "NA","TCMSP_id": "MOL013140","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-isopropyl-6-tert-butyl-2,5-piperazinedione
{"Ingredient_id": "HBIN008773","Ingredient_name": "3-isopropyl-6-tert-butyl-2,5-piperazinedione","Alias": "NA","Ingredient_formula": "C11H20N2O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α,α,5-Trimethyl-5-ethenyl-2-furanmethanol
{"Ingredient_id": "HBIN015343","Ingredient_name": "\u03b1,\u03b1,5-Trimethyl-5-ethenyl-2-furanmethanol","Alias": "NA","Ingredient_formula": "C12H20O3","Ingredient_Smile": "CC(=O)OC(C)(C)C1CCC(O1)(C)C=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
