Exact Mass: 184.0907
Exact Mass Matches: 184.0907
Found 500 metabolites which its exact mass value is equals to given mass value 184.0907,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzidine
Benzidine is prepared in a two step process from nitrobenzene. First, the nitrobenzene is converted to 1,2-diphenylhydrazine, usually using iron powder as the reducing agent. Treatment of this hydrazine with mineral acids induces a rearrangement reaction to 4,4-benzidine. Smaller amounts of other isomers are also formed. The benzidine rearrangement, which proceeds intramolecularly, is a classic mechanistic puzzle in organic chemistry. Benzidine, the trivial name for 4,4-diaminobiphenyl, is the solid organic compound with the formula (C6H4NH2)2. This aromatic amine is a component of a test for cyanide and also in the production of dyes. Benzidine has been linked to bladder and pancreatic cancer. Since August 2010 benzidine dyes are included in the EPAs List of Chemicals of Concern.
Choline phosphate
Phosphorylcholine, also known as choline phosphate or N-trimethyl-2-aminoethylphosphonate, is a member of the class of compounds known as phosphocholines. Phosphocholines are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative. Phosphorylcholine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Phosphorylcholine can be found in a number of food items such as grapefruit, lime, black cabbage, and barley, which makes phosphorylcholine a potential biomarker for the consumption of these food products. Phosphorylcholine can be found primarily in most biofluids, including urine, blood, saliva, and cerebrospinal fluid (CSF), as well as throughout most human tissues. Phosphorylcholine exists in all eukaryotes, ranging from yeast to humans. In humans, phosphorylcholine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(13D5/9D5), phosphatidylcholine biosynthesis PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)), phosphatidylcholine biosynthesis PC(14:0/20:1(11Z)), and phosphatidylcholine biosynthesis PC(11D5/9D5). Phosphorylcholine is also involved in few metabolic disorders, which include fabry disease, gaucher disease, and krabbe disease. Moreover, phosphorylcholine is found to be associated with alzheimers disease and multi-infarct dementia. Phosphorylcholine (abbreviated ChoP) is the hydrophilic polar head group of some phospholipids, which is composed of a negatively charged phosphate bonded to a small, positively charged choline group. Phosphorylcholine is part of platelet-activating factor; the phospholipid phosphatidylcholine as well as sphingomyelin, the only phospholipid of the membrane that is not built with a glycerol backbone. Treatment of cell membranes, like those of RBCs, by certain enzymes, like some phospholipase A2 renders the phosphorylcholine moiety exposed to the external aqueous phase, and thus accessible for recognition by the immune system. Antibodies against phosphorylcholine are naturally occurring autoantibodies that are created by CD5+/B-1 B cells and are referred to as non-pathogenic autoantibodies . Phosphorylcholine, also known as choline phosphate or CHOP, belongs to the class of organic compounds known as phosphocholines. Phosphocholines are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative. The phosphate of choline, and the parent compound of the phosphorylcholine family. Phosphorylcholine exists in all living species, ranging from bacteria to humans. Within humans, phosphorylcholine participates in a number of enzymatic reactions. In particular, phosphorylcholine can be converted into choline through its interaction with the enzyme phosphoethanolamine/phosphocholine phosphatase. In addition, phosphorylcholine can be converted into CDP-choline; which is mediated by the enzyme choline-phosphate cytidylyltransferase a. In humans, phosphorylcholine is involved in phospholipid biosynthesis. Outside of the human body, phosphorylcholine has been detected, but not quantified in several different foods, such as barley, pak choy, black radish, saskatoon berries, and acorns. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID P074
Antiarol
3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes. 3,4,5-Trimethoxyphenol is a natural product found in Diospyros eriantha, Tarenna attenuata, and other organisms with data available. A member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium. Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium.
Vanylglycol
Vanylglycol, also known as 3-Methoxy-4-hydroxyphenylethyleneglycol (MHPG), belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. It is synthesized from endogenous epinephrine and norepinephrine in vivo. It is found in brain, blood, CSF, and urine, where its concentrations are used to measure catecholamine turnover. Catecholamines play an important role in platelet activation and aggregation, epinephrine being the most potent one. Vanylglycol and pyrocatechol can be biosynthesized from 3,4-dihydroxyphenylglycol and guaiacol; which is catalyzed by the enzyme catechol O-methyltransferase. Vanylglycol is a O-methylated metabolite of normetanephrine. In humans, vanylglycol is involved in the metabolic disorder called tyrosinemia in newborns. Alcohol consumption increases the level of vanylglycol in urine and CSF. Vanylglycol is found normally in urine, in plasma and cerebrospinal fluid. Outside of the human body, vanylglycol has been detected, but not quantified in several different foods, such as blackcurrants, chinese bayberries, elderberries, oriental wheats, and poppies.
2-Aminodipyrido[1,2-a:3',2'-d]imidazole
Parent compound of a group of potent mutagens found in cooked food D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(±)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol
(±)-erthyro-1-(4-Hydroxyphenyl)-1,2,3-propanetriol is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Genipic acid
Genipic acid is found in beverages. Genipic acid is isolated from the jagua fruit Genipa american Isolated from the jagua fruit Genipa americana. Genipic acid is found in beverages and fruits.
1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol
1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol is found in herbs and spices. 1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol is found in herbs and spices.
4-Formyl-3-(formylmethyl)-4-hexenoic acid
4-Formyl-3-(formylmethyl)-4-hexenoic acid is found in fats and oils. 4-Formyl-3-(formylmethyl)-4-hexenoic acid is a constituent of the juice of ripe black olives (Olea europaea). Constituent of the juice of ripe black olives (Olea europaea). 4-Formyl-3-(formylmethyl)-4-hexenoic acid is found in fats and oils, herbs and spices, and fruits.
3,4-Methylenepimelic acid
3,4-Methylenepimelic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Abametapir
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides
Barbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Quaternary ammonium chloride combination
It is used as a food additive .
4-HYDROXY-3,5-DIMETHOXYBENZYL ALCOHOL
Syringyl Alcohol (Syringic Alcohol) is a derivate of phenol[1].
METRIBUZIN-DIKETO
A member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin. CONFIDENCE standard compound; EAWAG_UCHEM_ID 93
2,3,4,5-Tetrahyd-(Z)-2-(1-Nonene-3,5,7-triynyl)furan ro
5-hydroxy-7-(hydroxymethyl)-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-1-one
Aspyrone
A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one in which the hydrogens at positions 3, 5S and 6R are replaced by (2S,3S)-3-methyloxiran-2-yl, hydroxy and methyl groups, respectively. It is a fungal metabolite isolated from Aspergillus melleus and exhibits nematicidal, antibacterial and antifungal properties.
(2Z,8E,10E)-2,8,10,12-Tridecatetraene-4,6-diyn-l-ol
7-phenyl-hepta-4,6-diyn-2-ol|7-phenyl-hepta-4,6-diyne-2-ol
2,6-dimethyl-2,3-dihydro-4-oxo-4H-pyran-2-acetic acid
asperlactone
A member of the class of butenolides that is furan-2(5H)-one substituted by (2S,3S)-3-methyloxiran-2-yl and (1S)-1-hydroxyethyl group at positions 3 and 5R, respectively. It is a secondary metabolite isolated from Aspergillus ochraceus that exhibits antifungal and antibacterial properties.
3,4,5,6-tetrahydro-8-hydroxy-6-methylpyrano[3,4-c]pyran-1(8H)-one|swercinctolide B
1-(2-Methoxyphenyl)-2,4-hexadiyne|Methoxycapillen|o-methoxycapillene
2,5-Dihydro-3-methyl-2-oxo-5-propylfuran-4-carboxylic acid
barbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
5-hydroxy-6-(2-hydroxyethyl)-1H,3H,4H,5H,6H-cyclopenta[c]furan-1-one
4,5-bis(hydroxymethyl)-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-2-one
Phosphocholine
The phosphate of choline; and the parent compound of the phosphocholine family.
Terbuthylazine-TP MT23 (LM5)
CONFIDENCE standard compound; UCHEM_ID 4187 UCHEM_ID 4187; CONFIDENCE standard compound
Benzhydrol
A secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1.
methyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
5,5-dimethyl-2-propan-2-ylidene-1,3-dioxane-4,6-dione
6-amino-1,3-dimethyl-5-(methylamino)pyrimidine-2,4-dione
6-amino-1,2,3,4-tetrahydro-isoquinolin hydrochloride
2,2-Dimethyl-5-(1-Methyl Ethylidene)-1,3-Dioxane-4,6-Dione
METHYL 2-ETHYL-5-METHYL-4-OXO-4,5-DIHYDROFURAN-3-CARBOXYLATE
1-(2,3-DICHLORO-PHENYL)-PIPERAZINE,DIHYDROCHLORIDE
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-3-methyl-, (3R,7S,8aR)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methoxy-, (3S-trans)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-3-methyl-, (3S,7R,8aR)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(hydroxymethyl)- (9CI)
(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
4-hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline-1-oxyl
6-AMINO-5-(DIMETHYLAMINO)-1-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
2,2,5,5-TETRAMETHYL-3-PYRROLIN-1-OXYL-3-CARBOXYLIC ACID
1-(Ethoxycarbonyl)-3-cyclopentene-1-carboxylic Acid
(2-FLUORO-6-(METHYLAMINO)PYRIDIN-3-YL)BORONIC ACID
10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-hydroxy-3-methyl-, (8aS)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methoxy-, (8aS)- (9CI)
1H-Cyclopenta[b]quinoxaline,2,3-dihydro-2-methyl-(9CI)
1,2,3,4-TETRAHYDROISOQUINOLIN-5-AMINE HYDROCHLORIDE
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methoxy-, (3R-cis)- (9CI)
3-(2,2-DIMETHYLHYDRAZINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(hydroxymethyl)-, (3R-cis)- (9CI)
2-[(2,4,5,6-tetradeuteriopyridine-3-carbonyl)amino]acetic acid
Pyrrolo[1,2-a]pyrazine-4-carboxylic acid, octahydro-1-oxo-, (4S-trans)- (9CI)
4-Biphenylmethanol
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
2-Vinylcyclopropane-1,1-dicarboxylic acid dimethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-2-methyl-, (7R-cis)- (9CI)
cyclopropyl(pyridin-2-yl)methanamine hydrochloride
1,2,3,4-tetrahydroisoquinolin-7-amine hydrochloride
1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (R)-
(R)-adrenaline(1+)
An organic cation that is the conjugate acid of (R)-adrenaline, obtained by protonation of the amino group; major species at pH 7.3.
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethanaminium
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium
(2R,3S)-4-methylidene-5-oxo-2-propyloxolane-3-carboxylic acid
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
2-Hydroxy-6-oxonona-2,4-dienoic acid
An alpha,beta-unsaturated monocarboxylic acid that is nona-2,4-dienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively.
2-(Hydroxymethyl)-5-methoxy-4-methylbenzene-1,3-diol
4-(Hydroxymethyl)-5-methoxy-2-methylbenzene-1,3-diol
2-Aminodipyrido[1,2-a:3,2-d]imidazole
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid
A tetrahydro-4-hydroxyphenylpyruvic acid with (1S,4R)-stereochemistry.
cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid
A tetrahydro-4-hydroxyphenylpyruvic acid with (1R,4R)-stereochemistry.
4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid
A member of the class of furans that is furan substituted by propyl, carboxy and hydroxymethyl groups at positions 2, 3 and 4, respectively. It is an inducer of antibiotic biosynthesis in Streptomyces species.
4-hydroxy-3-methoxy-4-methylcyclohexa-1,5-diene-1-carboxylic acid
(3r,3ar,4r,5s,6ar)-5-hydroxy-3,4,5-trimethyl-tetrahydro-3h-cyclopenta[b]furan-2-one
(4r,5s,6r)-6-(2-hydroxyethyl)-4h,5h,6h-cyclopenta[c]furan-4,5-diol
7-(2-hydroxypropan-2-yl)-4-methyl-6,7-dihydro-5h-oxepin-2-one
(2s)-2-[(2s,5r)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
[(2s)-2,6-dimethyl-4-oxo-3h-pyran-2-yl]acetic acid
(4s,5s)-4,5-dihydroxy-2-isopropyl-5-methylcyclohex-2-en-1-one
(5s,6r)-5-hydroxy-6-methyl-3-[(2s,3r)-3-methyloxiran-2-yl]-5,6-dihydropyran-2-one
4,5-dihydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
5-hydroxy-7-(hydroxymethyl)-2h,4h,4ah,5h,7ah-cyclopenta[b]pyran-3-one
4-methylidene-5-oxo-2-propyloxolane-3-carboxylic acid
(4r,5r)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one
[(3s,4s)-3-hydroxy-1h,3h,4h,5h,6h-cyclopenta[c]furan-4-yl]acetic acid
(2e,8e,10e)-trideca-2,8,10,12-tetraen-4,6-diyn-1-ol
2-(2,4-hexadiynyl)anisole
{"Ingredient_id": "HBIN003658","Ingredient_name": "2-(2,4-hexadiynyl)anisole","Alias": "NA","Ingredient_formula": "C13H12O","Ingredient_Smile": "NA","Ingredient_weight": "184.23","OB_score": "NA","CAS_id": "56257-23-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9082","PubChem_id": "NA","DrugBank_id": "NA"}
3,5-dihydroxy-4-methoxylphenylethanol
{"Ingredient_id": "HBIN007624","Ingredient_name": "3,5-dihydroxy-4-methoxylphenylethanol","Alias": "NA","Ingredient_formula": "C9H12O4","Ingredient_Smile": "CC(C1=CC(=C(C(=C1)O)OC)O)O","Ingredient_weight": "184.19 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42933","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129881978","DrugBank_id": "NA"}
3,5-tridecadiene-7,9,11-triyn-1-ol
{"Ingredient_id": "HBIN007683","Ingredient_name": "3,5-tridecadiene-7,9,11-triyn-1-ol","Alias": "NA","Ingredient_formula": "C13H12O","Ingredient_Smile": "NA","Ingredient_weight": "184.23","OB_score": "NA","CAS_id": "3513-72-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8249","PubChem_id": "NA","DrugBank_id": "NA"}
(4r)-4-hydroxymethylboschnialactone
{"Ingredient_id": "HBIN010862","Ingredient_name": "(4r)-4-hydroxymethylboschnialactone","Alias": "NA","Ingredient_formula": "C10H16O3","Ingredient_Smile": "CC1CCC2C1COC(=O)C2CO","Ingredient_weight": "184.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10469","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12109335","DrugBank_id": "NA"}
(4s,8r)-8,9-dihydroxy-8,9-dihydrocarvone
{"Ingredient_id": "HBIN010905","Ingredient_name": "(4s,8r)-8,9-dihydroxy-8,9-dihydrocarvone","Alias": "NA","Ingredient_formula": "C10H16O3","Ingredient_Smile": "CC1=CCC(CC1=O)C(C)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5808","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
