Exact Mass: 184.0974
Exact Mass Matches: 184.0974
Found 500 metabolites which its exact mass value is equals to given mass value 184.0974
,
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
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-
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
2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid
7-deoxyloganetic alcohol
A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a hydroxymethyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one
(1'R)-Nepetalic acid
(1R)-Nepetalic acid is found in herbs and spices. (1R)-Nepetalic acid is a constituent of Nepeta cataria (catnip) Constituent of Nepeta cataria (catnip). (1R)-Nepetalic acid is found in tea and herbs and spices.
(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one
(4S,8S)-8,9-Dihydroxy-p-menth-1(6)-en-2-one is found in herbs and spices. (4S,8S)-8,9-Dihydroxy-p-menth-1(6)-en-2-one is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (4S,8S)-8,9-Dihydroxy-p-menth-1(6)-en-2-one is found in herbs and spices.
(E)-10-Oxo-8-decenoic acid
(E)-10-Oxo-8-decenoic acid is found in mushrooms. (E)-10-Oxo-8-decenoic acid is a constituent of the mushroom Agaricus bisporus (button mushroom). Constituent of the mushroom Agaricus bisporus (button mushroom). (E)-10-Oxo-8-decenoic acid is found in mushrooms.
(S)-Oleuropeic acid
Oleuropeic acid, also known as rac-oleuropeate, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Oleuropeic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Oleuropeic acid can be found in olive, which makes oleuropeic acid a potential biomarker for the consumption of this food product. (S)-Oleuropeic acid is found in fats and oils. Aglycone from Olea europaea (olive).
1-Acetylcyclohexyl acetate
1-Acetylcyclohexyl acetate is a flavourant for food and tobacco. Flavourant for food and tobacco
Acisoga
N-(3-acetamidopropyl)pyrrolidin-2-one is a catabolic product of spermidine and is formed from N1-acetylspermidine. It is classified as a member of the N-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. N-(3-acetamidopropyl)pyrrolidin-2-one is considered to be soluble (in water) and relatively neutral. (Chemosummarizer) It is excreted in the urine. The urinary level of N-(3-acetamidopropyl)pyrrolidin-2-one is increased in patients with non-Hodgkins lymphoma.
1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide
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
alpha-Campholonic acid
Alpha-campholonic acid, also known as A-campholonate, belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Alpha-campholonic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Alpha-campholonic acid can be found in common sage, which makes alpha-campholonic acid a potential biomarker for the consumption of this food product.
Quaternary ammonium chloride combination
It is used as a food additive .
1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one
Constituent of Foeniculum vulgare (fennel). 1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one is found in herbs and spices.
trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
(1R-endo)-3-hydroxy-4-(hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptan-2-one
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
2-Cyclohepten-1-one, 4,5-dihydroxy-2,6,6-trimethyl-
(2Z,8E,10E)-2,8,10,12-Tridecatetraene-4,6-diyn-l-ol
(Z)-2-methyl-2-butensaeure-(3-hydroxy-2-methylidenbutyl)ester
7-phenyl-hepta-4,6-diyn-2-ol|7-phenyl-hepta-4,6-diyne-2-ol
(S)-2-[[(2R)-Tetrahydro-5alpha-methyl-5-vinylfuran]-2beta-yl]propanoic acid
6-hydroxy-6-isopropylcyclohex-1-enecarboxylic acid
(4S,5E)-4r-hydroxy-10t-methyl-3,4,7,8,9,10-hexahydro-oxecin-2-one|(4S,5E,10R)-4-hydroxy-10-methyl-3,4,7,8,9,10-hexahydro-2H-oxecin-2-one|Diplodialide B|diplodialide-B
Rehmapicrogenin
Rehmapicrogenin is a natural product found in Rehmannia glutinosa with data available.
trans-2,4-dihydroxy-2,4-dimethyl-trans-1-acetic acid gamma-lactone
(1S,4S,5S,7S)-5,8-dihydroxyl-1,7-dimethylbicyclo[2.2.1]heptan-2-one
4-Hydroxy-5-(1-hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one
1-(2-Methoxyphenyl)-2,4-hexadiyne|Methoxycapillen|o-methoxycapillene
(2R,4R)-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran-4-carboxylic acid|sibiraic 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
1,3-bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one
3,3-Dimethyl-2-oxabicyclo[2.2.2]octane-1-carboxylic acid
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.
(1'R)-Nepetalic acid
(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one
tert-Butyl 3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
6-amino-1,3-dimethyl-5-(methylamino)pyrimidine-2,4-dione
6-amino-1,2,3,4-tetrahydro-isoquinolin hydrochloride
Pyrrolo[1,2-a]pyrazine-3-carboxylic acid, octahydro-, methyl ester, (3S-cis)- (9CI)
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]pyrazin-1(2H)-one, hexahydro-3-(hydroxymethyl)-2-methyl-, (3S,8aS)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(hydroxymethyl)- (9CI)
(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
Mitoguazone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C2090 - S-Adenosyl-Methionine Decarboxylase Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
4-hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline-1-oxyl
Bicyclo[2.2.2]octane-1-carboxylicacid, 4-(hydroxymethyl)-
6-AMINO-5-(DIMETHYLAMINO)-1-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Carbamic acid, (1-cyanopropyl)-, 1,1-dimethylethyl ester (9CI)
2,2,5,5-TETRAMETHYL-3-PYRROLIN-1-OXYL-3-CARBOXYLIC ACID
4-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid
(2-FLUORO-6-(METHYLAMINO)PYRIDIN-3-YL)BORONIC ACID
ethyl 2,2-dimethyl-3-oxocyclopentane-1-carboxylate
10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 2-ethylhexahydro-7-hydroxy-, (7R-cis)- (9CI)
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)
Cyclohexanecarboxylicacid, 4-methyl-2-oxo-, ethyl ester
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
1-Oxaspiro[2.5]octane-2-carboxylicacid, ethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-2-methyl-, (7R-cis)- (9CI)
cyclopropyl(pyridin-2-yl)methanamine hydrochloride
methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
1,2,3,4-tetrahydroisoquinolin-7-amine hydrochloride
(2R,6S)-2-amino-7,9-dimethyl-1,2,3,6-tetrahydropurin-9-ium-6-ol
(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
(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid
2-[(1S,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
(4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
(4S,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
5-Methoxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
(4E,6E)-3-hydroxydeca-4,6-dienoic acid
A hydroxy monocarboxylic acid that is deca-4,6-dienoic acid substituted by a hydroxy group at position 3 (the 4E,6E-stereoisomer).
(1R,4R,5R,8S)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one
An organic heterobicyclic compound that is 2-oxabicyclo[3.3.1]nonan-3-one which has been substituted by an oxo group at position 3, methyl groups at positions 4 and 8, and by a hydroxy group at position 8 (the 1R,4R,5R,8S stereoisomer). Isolated from the plant endophytic fungus Pestalotiopsis foedan.
(2E,4Z)-8-hydroxydeca-2,4-dienoic acid
A polyunsaturated fatty acid that is deca-2,4-dienoic acid substituted by a hydroxy group at position 8 (the 2E,4Z stereoisomer).
(4R,7S)-4-isopropenyl-7-hydroxy-7-methyloxepan-2-one
(4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one
2-Aminodipyrido[1,2-a:3,2-d]imidazole
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
2-[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid
(3r,3ar,4r,5s,6ar)-5-hydroxy-3,4,5-trimethyl-tetrahydro-3h-cyclopenta[b]furan-2-one
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
(4s,5s)-4,5-dihydroxy-2-isopropyl-5-methylcyclohex-2-en-1-one
4,5-dihydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
(4r,5r)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one
(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-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"}