Exact Mass: 204.1236
Exact Mass Matches: 204.1236
Found 286 metabolites which its exact mass value is equals to given mass value 204.1236,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bufotenin
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic. Bufotenin (5-OH-DMT), is a tryptamine related to the neurotransmitter serotonin. It is an alkaloid found in the skin of some species of toads; in mushrooms, higher plants, and mammals. Bufotenin is a chemical constituent in the venom and eggs of several species of toads belonging to the Bufo genus, but most notably in the Colorado River toad (Bufo alvarius) as it is the only toad species in which bufotenin is present in large enough quantities for a psychoactive effect. Extracts of toad venom, containing bufotenin and other bioactive compounds, have been used in some traditional medicines (probably derived from Bufo gargarizans), which has been used medicinally for centuries in China. Bufotenin is a constituent of the seeds of Anadenanthera colubrina and Anadenanthera peregrina trees. Anadenanthera seeds have been used as an ingredient in psychedelic snuff preparations by indigenous cultures of the Caribbean, Central and South America. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Psilocin
Psilocin (4-OH-DMT), an aromatic compound, sometimes also spelled psilocine, psilocyn, or psilotsin, is a psychedelic mushroom alkaloid. It is found in most psychedelic mushrooms together with its phosphorylated counterpart psilocybin. Psilocin is a Schedule I drug under the Convention on Psychotropic Substances. The mind-altering effects of psilocin are highly variable and subjective, but resemble those caused by LSD and mescaline. The effects typically last anywhere from three to eight hours depending on certain variables (such as metabolism, food interaction); however the effects can seem to last much longer due to psilocins ability to distort the perception of time. Sulfur analogs are known with a benzothienyl replacement as well as 4-SH-DMT. N1-methylpsilocin is a functionally 5-HT2C receptor preferring agonists. 4-fluoro-N,N-dimethyltryptamine is known. O-Acetylpsilocin is an acetylized analog of psilocin, also known as 4-AcO-DMT. Additionally, substitution of a methyl group at the dimethylated nitrogen with an isopropyl or ethyl group yields 4-HO-MIPT (4-Hydroxy-N-Methyl-N-Isopropyltryptamine) and 4-HO-MET (4-Hydroxy-N-Methyl-N-Ethyltryptamine), respectively. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
Acetylcarnitine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A143; [MS2] KO009087 KEIO_ID A143
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)
Caulophylline
N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
Plastoquinone
Plastoquinone is a member of the class of compounds known as prenylquinones. Prenylquinones are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. Plastoquinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Plastoquinone can be found in barley, which makes plastoquinone a potential biomarker for the consumption of this food product. Plastoquinone (PQ) is an isoprenoid quinone molecule involved in the electron transport chain in the light-dependent reactions of photosynthesis. The most common form of plastoquinone, known as PQ-A or PQ-9, is a 2,3-dimethyl-1,4-benzoquinone molecule with a side chain of nine isoprenyl units. There are other forms of plastoquinone, such as ones with shorter side chains like PQ-3 (which has 3 isoprenyl side units instead of 9) as well as analogs such as PQ-B, PQ-C, and PQ-D, which differ in their side chains. The benzoquinone and isoprenyl units are both nonpolar, anchoring the molecule within the inner section of a lipid bilayer, where the hydrophobic tails are usually found .
2-Phenylethyl 3-methyl-2-butenoate
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Helianthus annuus (sunflower)
3-Isovalidene-3alpha,4-dihydrophthalide
3-Isovalidene-3alpha,4-dihydrophthalide is found in green vegetables. 3-Isovalidene-3alpha,4-dihydrophthalide is a odorous constituent of celery stem and leaf (Apium graveolens Odorous constituent of celery stem and leaf (Apium graveolens). 3-Isovalidene-3alpha,4-dihydrophthalide is found in wild celery and green vegetables.
cis-3-Hexenyl benzoate
cis-3-Hexenyl benzoate is found in fruits. cis-3-Hexenyl benzoate is a constituent of black tea aroma. Also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. cis-3-Hexenyl benzoate is a flavouring agent. Constituent of black tea aromaand is also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. Flavouring agent. cis-3-Hexenyl benzoate is found in tea and fruits.
Butyl cinnamate
Butyl cinnamate is a flavouring ingredient. Flavouring ingredient
Phenethyl tiglate
Phenethyl tiglate is a flavouring ingredient. Flavouring ingredient
alpha,alpha-Dimethylanisalacetone
alpha,alpha-Dimethylanisalacetone is a flavouring ingredien Flavouring ingredient
Hexyl 3-mercaptobutanoate
Hexyl 3-mercaptobutanoate 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 .
Benzyl 2,3-dimethyl-2-butenoate
Benzyl 2,3-dimethyl-2-butenoate is a flavouring agent Flavouring agent
Isobutyl cinnamate
Isobutyl cinnamate is a flavouring ingredient. Flavouring ingredient
(S)-3-Mercaptohexyl butyrate
(S)-3-Mercaptohexyl butyrate is found in fruits. (S)-3-Mercaptohexyl butyrate is isolated from yellow passion fruit (Passiflora edulis). (S)-3-Mercaptohexyl butyrate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. (S)-3-Mercaptohexyl butyrate is found in fruits.
3-Mercaptohexyl butyrate
3-Mercaptohexyl butyrate is a flavouring agent. Flavouring agent
Cinnamyl butyrate
Cinnamyl butyrate is found in pomes. Cinnamyl butyrate is used in orange and citrus food flavouring. Cinnamyl butyrate is present in apple. Cinnamyl butyrate is used in orange and citrus food flavouring. It is found in apple.
Cinnamyl isobutyrate
Cinnamyl isobutyrate is used in food flavouring. It is used in food flavouring
1-Hydroxycyclohexyl phenyl ketone
D009676 - Noxae > D009153 - Mutagens
Nebracetam
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs C26170 - Protective Agent > C1509 - Neuroprotective Agent
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
(Z)-3-Hexenylbenzoate
(z)-3-hexenylbenzoate is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid (z)-3-hexenylbenzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-hexenylbenzoate can be found in safflower, which makes (z)-3-hexenylbenzoate a potential biomarker for the consumption of this food product.
4-(3-Methyl-2-butenoxy)-acetophenone
4-(3-methyl-2-butenoxy)-acetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-(3-methyl-2-butenoxy)-acetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-acetophenone can be found in lemon, which makes 4-(3-methyl-2-butenoxy)-acetophenone a potential biomarker for the consumption of this food product.
Validene 4,5-dihydrophthalide
Validene 4,5-dihydrophthalide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Validene 4,5-dihydrophthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Validene 4,5-dihydrophthalide can be found in lovage, which makes validene 4,5-dihydrophthalide a potential biomarker for the consumption of this food product.
Caulophyllin
N-Methylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
a-Hydroxycyclohexylphenylketone
D009676 - Noxae > D009153 - Mutagens
(2R)-2,3-dihydro-6-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one|(2R)-norpterosin B
(E)-Hydronperoxide-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-hydroperoxid
1-[4-hydroxy-3-(3-methyl-1-butenyl)phenyl]ethanone
(E)-4-(1-propen-1-yl)phenyl isobutyrate|4-(prop-(1E)-enyl)phenyl isobutyrate|Anethol-isobutyrate
alpha,alpha-Dimethylbenzenepropanoic acid ethenyl ester
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.084 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.090
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
3-Isovalidene-3a,4-dihydrophthalide
tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
2-[(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLOXY)METHYL]OXIRANE
1-(3-DIMETHYLAMINO-PROPYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-dimethanol
(3S,4S)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
(3S,4R)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
1-(8-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
1H-2-Benzopyran-1-one,4,4-diethyl-3,4-dihydro-(9CI)
6-METHOXY-1-VINYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
4-Methylbenzeneboronic acid neopentyl glycol ester
2-Propenoic acid,3-phenyl-, 1,1-dimethylethyl ester
4-TERT-BUTOCYCARBONYLAMINO CYCLOHEXANE CARBOXYLIC ACID METHYL ESTER
N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
(R)-2-HYDROXYMETHYLMORPHOLINE-4-CARBOXYLICACIDTERT-BUTYLESTER
1-(4-methoxy-1h-indol-3-yl)-n,n-dimethylmethanamine
1-(6-amino-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Cis-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
1h-indene-1-acetic acid, 2,3-dihydro-, ethyl ester
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
4,7,8-Trimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
1,2-Dioxetane, 3,4,4-trimethyl-3-[[(trimethylsilyl)oxy]methyl]-
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
L-tryptophanamide(1+)
The conjugate acid of L-tryptophanamide arising from protonation of the alpha-amino group; major species at pH 7.3.
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
(4aR,7R,7aS)-7,7a-dimethyl-5,6,7,8-tetrahydro-4aH-cyclopenta[f][1]benzofuran-4-one
[(1R,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium
PSILOCIN
A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
bufotenin
A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
norpinguisone
A natural product found particularly in Porella chilensis and Porella navicularis.
(4as,7s,7ar)-7,7a-dimethyl-4ah,5h,6h,7h,8h-indeno[5,6-b]furan-4-one
(1r,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
1-[4-hydroxy-3-(3-methylbut-1-en-1-yl)phenyl]ethanone
2,5-dimethyl-4-Methoxyphenanthrene
{"Ingredient_id": "HBIN004652","Ingredient_name": "2,5-dimethyl-4-Methoxyphenanthrene","Alias": "NA","Ingredient_formula": "C9H18NO4+","Ingredient_Smile": "CC(=O)OC(CC(=O)O)C[N+](C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hexenyl benzoate
{"Ingredient_id": "HBIN005685","Ingredient_name": "2-hexenyl benzoate","Alias": "NA","Ingredient_formula": "C13H16O2","Ingredient_Smile": "CCCC=CCOC(=O)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
