Exact Mass: 177.100103
Exact Mass Matches: 177.100103
Found 500 metabolites which its exact mass value is equals to given mass value 177.100103,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phenmetrazine
Phenmetrazine is only found in individuals that have used or taken this drug. It is a sympathomimetic drug used primarily as an appetite depressant. Its actions and mechanisms are similar to dextroamphetamine. [PubChem]Phenmetrazine is thought to block the reuptake of norepinephrine and dopamine into the presynaptic neuron leading to an increase in the release of these monoamines into the extraneuronal space. Dopamine integrates incoming sensory stimuli, initiates and controls fine movement (nigro-neostriatal pathway), controls emotional behavior (midbrain mesolimbic-forebrain system) and controls hypothalamic-pituitary endocrine system (tubero-infundibular system). It is this latter effect on the tubero-infundibular systm that seems to lead to reduced food intake. Phenmetrazine also acts as a monoamine oxidase inhibitor. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
(S)-Valerianine
Alkaloid from roots of Valeriana officinalis (valerian). (S)-Valerianine is found in tea, fats and oils, and herbs and spices. (S)-Valerianine is found in fats and oils. (S)-Valerianine is an alkaloid from roots of Valeriana officinalis (valerian).
N'-nitrosonornicotine
N-nitrosonornicotine belongs to the family of Pyrrolidinylpyridines. These are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. D009676 - Noxae > D002273 - Carcinogens
dihomomethionine
A sulfur-containing amino acid consisting of 2-aminohexanoic acid having a methylthio substituent at the 6-position.
Mephedrone
In 2010, unconfirmed reports speculated about the role mephedrone has played in the deaths of several young people in the UK. By July 2010, mephedrone had been alleged to be involved in 52 fatalities in the UK, but detected in only 38 of these cases. Of the nine that coroners had finished investigating, two were caused directly by mephedrone. The first death reported to be caused by mephedrone use was that of 46-year-old, John Sterling Smith, who had underlying health problems and repeatedly injected the drug. A report in Forensic Science International in August 2010 stated mephedrone intoxication has been recorded as the cause of death in two cases in Scotland. Post mortem samples showed the concentration of mephedrone in their blood was 22 mg/l in one case and 3.3 mg/l in the other. The death of a teenager in the UK in November 2009 was widely reported as being caused by mephedrone, but a report by the coroner concluded she had died from natural causes. In March 2010, the deaths of two teenagers in Scunthorpe were widely reported by the media to be caused by mephedrone. Toxicology reports showed the teenagers had not taken any mephedrone and had died as a result of consuming alcohol and the heroin substitute methadone. According to Fiona Measham, a criminologist who is a member of the ACMD, the reporting of the unconfirmed deaths by newspapers followed the usual cycle of exaggeration, distortion, inaccuracy and sensationalism associated with the reporting of recreational drug use. Mephedrone is a white substance. It is sold most commonly as crystals or a powder, but also in the form of capsules or pills. It can have a distinctive odour, reported to range from a synthetic fishy smell to the smell of vanilla and bleach, stale urine, or electric circuit boards. Mephedrone is one of hundreds of designer drugs or legal highs that have been reported in recent years, including artificial chemicals such as synthetic cannabis and semisynthetic substances such as methylhexaneamine. These drugs are primarily developed to avoid being controlled by laws against illegal drugs, thus giving them the label of designer drugs. According to the European Monitoring Centre for Drugs and Drug Addiction, the synthesis of mephedrone was first reported in 1929 by Saem de Burnaga Sanchez in the Bulletin de la Societe Chimique de France, under the name toluyl-alpha-monomethylaminoethylcetone,:17 but the compound remained an obscure product of academia until 2003, when it was re-discovered and publicised by an underground chemist on The Hive website, working under the pseudonym Kinetic. Mephedrone, also known as 4-methylmethcathinone (4-MMC), or 4-methylephedrone, is a synthetic stimulant drug of the amphetamine and cathinone classes. Slang names include meph, drone, MCAT, meow meow, and bubble. It is reportedly manufactured in China and is chemically similar to the cathinone compounds found in the khat plant of eastern Africa. It comes in the form of tablets or a powder, which users can swallow, snort or inject, producing similar effects to MDMA, amphetamines, and cocaine.
N-Methyl-1-deoxynojirimycin
N-Methyl-1-deoxynojirimycin is found in fruits. N-Methyl-1-deoxynojirimycin is an alkaloid from Morus alba (white mulberry Alkaloid from Morus alba (white mulberry). N-Methyl-1-deoxynojirimycin is found in fruits. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
5-Hydroxytryptophol
5-Hydroxytryptophol is a relatively minor metabolite of serotonin that is excreted primarily as the glucuronide conjugate in human urine. 5-Hydroxytryptophol becomes more important quantitatively during alcohol intoxication, when a shift in the metabolism of serotonin occurs from 5-hydroxyindole acetic acid toward increased (15-fold higher) formation of 5-hydroxytryptophol due to the inhibition of aldehyde dehydrogenase by ethanol-derived acetaldehyde. Urinary excretion of 5-hydroxytryptophol has also been shown to be markedly increased for several hours following intake of foods rich in serotonin, such as bananas. Wide interspecies variation has been reported in the metabolism serotonin to 5-hydroxytryptophol; 5-Hydroxytryptophol makes up 35\\\% of the excreted serotonin metabolites in the rat on average and 10 to 20\\\% in several other species. Human UDP-glucuronosyltransferase 1A6 (UGT1A6) plays a predominant role in the glucuronidation of 5-hydroxytryptophol by human liver microsomes. (PMID 15258112) [HMDB]. 5-Hydroxytryptophol is found in many foods, some of which are climbing bean, macadamia nut (m. tetraphylla), pepper (c. frutescens), and scarlet bean. 5-Hydroxytryptophol is a relatively minor metabolite of serotonin that is excreted primarily as the glucuronide conjugate in human urine. 5-Hydroxytryptophol becomes more important quantitatively during alcohol intoxication, when a shift in the metabolism of serotonin occurs from 5-hydroxyindole acetic acid toward increased (15-fold higher) formation of 5-hydroxytryptophol due to the inhibition of aldehyde dehydrogenase by ethanol-derived acetaldehyde. Urinary excretion of 5-hydroxytryptophol has also been shown to be markedly increased for several hours following intake of foods rich in serotonin, such as bananas. Wide interspecies variation has been reported in the metabolism serotonin to 5-hydroxytryptophol; 5-Hydroxytryptophol makes up 35\\\% of the excreted serotonin metabolites in the rat on average and 10 to 20\\\% in several other species. Human UDP-glucuronosyltransferase 1A6 (UGT1A6) plays a predominant role in the glucuronidation of 5-hydroxytryptophol by human liver microsomes. (PMID 15258112). 5-Hydroxytryptophol is a mammalian serotonin metabolite, acting as a marker of acute alcohol consumption.
Plantagonine
Plantagonine is found in fruits. Plantagonine is an alkaloid from Plantago psyllium (African plantain). Alkaloid from Plantago psyllium (African plantain). Plantagonine is found in fruits.
1,2-Dehydrosalsolinol
1,2-dehydrosalsolinol(1-methyl-6,7-dihydroxy-3,4-dihydroisoquinolines) is formed through the decarboxylation of salsolinol-1-carboxylic acid (1-methyl-6,7-dihydroxy-1,2,3,4- tetrahydroisoquinoline-1-carboxylic acid), a novel endogenous catecholic adduct of dopamine and pyruvic acid, examined in nuclei-free homogenates of rat liver, whole brain, and kidney, as well as in buffer only. Liquid chromatographic analysis of incubations for varying times (30 min to 5 h) showed that the tetrahydroisoquinoline substrate decarboxylated oxidatively, forming the DSAL (PMID: 3369867). It is involved in Tyrosine Metabolism. 1,2-dehydrosalsolinol(1-methyl-6,7-dihydroxy-3,4-dihydroisoquinolines) is formed through the decarboxylation of salsolinol-1-carboxylic acid (1-methyl-6,7-dihydroxy-1,2,3,4- tetrahydroisoquinoline-1-carboxylic acid), a novel endogenous catecholic adduct of dopamine and pyruvic acid, examined in nuclei-free homogenates of rat liver, whole brain, and kidney, as well as in buffer only. Liquid chromatographic analysis of incubations for varying times (30 min to 5 h) showed that the tetrahydroisoquinoline substrate decarboxylated oxidatively, forming the DSAL (PMID: 3369867)
2-Propenyl 2-aminobenzoate
2-Propenyl 2-aminobenzoate is a flavour ingredient. Flavour ingredient
7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one
Proline-derived Maillard product. Proline-derived Maillard product
2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one
Proline-specific Maillard product. Proline-specific Maillard product
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone
Proline-derived Maillard product. Proline-derived Maillard product
2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine
Proline- or lysine-derived Maillard product. Proline- or lysine-derived Maillard product
2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine
Proline-derived Maillard product. Proline-derived Maillard product
1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone
Proline-derived Maillard product. Proline-derived Maillard product
5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine
Proline-derived Maillard product. Proline-derived Maillard product
1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone
Proline- or lysine-derived Maillard product. Proline- or lysine-derived Maillard product
5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol
Putative proline-derived Maillard product formed in model reactions with proline and ascorbic acid. Putative proline-derived Maillard product formed in model reactions with proline and ascorbic acid
N,N-dimethylindoliumolate
This compound belongs to the family of Indoles and Derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
4-(Diethylamino)benzaldehyde
4-Diethylaminobenzaldehyde is a reversible aldehyde dehydrogenases (ALDHs) inhibitor, with a Ki of 4 nM for ALDH1. 4-Diethylaminobenzaldehyde displays potent anti-androgenic effect (IC50= 1.71μM)[1][2].
indole-3-glycol
Indole-3-glycol is a member of the class of compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Indole-3-glycol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-glycol can be found in a number of food items such as common wheat, common pea, japanese persimmon, and broccoli, which makes indole-3-glycol a potential biomarker for the consumption of these food products.
Metamfepramone
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
N-Formylmethamphetamine
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 508
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
7-(methylsulfinyl)heptylamine
A primary amino compound that is heptylamine in which one of the methyl hydrogens at position 7 has been replaced by a methylsulfinyl group.
4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde is a reversible aldehyde dehydrogenases (ALDHs) inhibitor, with a Ki of 4 nM for ALDH1. 4-Diethylaminobenzaldehyde displays potent anti-androgenic effect (IC50= 1.71μM)[1][2].
Me glycoside-alpha-D-Pyranose-4-Amino-4,6-dideoxymannose
Me glycoside-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
2-(2-Hydroxyethyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol
alpha-(4-Hydroxy-phenoxy)-isobutyronitril|alpha-(4-hydroxy-phenoxy)-isobutyronitrile
Me glycoside-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol|2,5-dideoxy-2,5-(methyliminiumyl)-D-mannitol|N-methyl-2,5-dideoxy-2,5-imino-D-mannitol|N-methyl-2R,5R-dihydroxymethyl-3R,4R-dihydroxypyrrolidine|N-methyl-DMDP
Di-Me ether,nitrile-(3,4-Dihydroxyphenyl)acetic acid
3-Deoxy-3-methylaminoarabinose-Me glycoside|3-Deoxy-3-methylaminoxylose-beta-D-Pyranose-form-Me glycoside
2,5-imino-2,5,7-trideoxy-D-glycero-D-manno-heptitol|7-deoxy-homoDMDP
phenylbiguanide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D007004 - Hypoglycemic Agents > D001645 - Biguanides Phenylbiguanide is a 5-HT3 receptor selective agonist with an EC50 of 3.0±0.1 μM.
4-MMC
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2827 CONFIDENCE standard compound; INTERNAL_ID 1696
Rebemide
[Raw Data] CB170_Rebemide_pos_50eV_CB000064.txt [Raw Data] CB170_Rebemide_pos_40eV_CB000064.txt [Raw Data] CB170_Rebemide_pos_30eV_CB000064.txt [Raw Data] CB170_Rebemide_pos_20eV_CB000064.txt [Raw Data] CB170_Rebemide_pos_10eV_CB000064.txt
5-Hydroxytryptophol
5-Hydroxytryptophol is a mammalian serotonin metabolite, acting as a marker of acute alcohol consumption.
phenmetrazine
A member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
Mednj
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
7-ethyl-1H,2H,3H,6H,7H,8H-cyclopenta[b]azepin-8-one
6,7-dimethyl-1H,2H,3H,6H,7H,8H-cyclopenta[b]azepin-8-one
2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine
2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine
1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone
5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine
1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone
3-[5-(Hydroxymethyl)furfurylidene]-1-pyrroline
8-AZABICYCLO[3.2.1]OCTAN-3-YLMETHANOL HYDROCHLORIDE
Pyrido[2,3-b]pyrazin-2(1H)-one, 3,4-dihydro-3,6-dimethyl- (9CI)
5-AMINO-1,3-DIMETHYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
2H-INDOL-2-ONE, 1,3-DIHYDRO-5-HYDROXY-1,3-DIMETHYL-
D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
5-amino-6,7,8,9-tetrahydro-5h-benzo[7]annulen-6-ol
3-ENDO-HYDROXYMETHYLBICYCLO[2.2.1!HEPTYL-2-ENDO-AMINE HYDROCHLORIDE
Pyrido[2,3-b]pyrazine-1(2H)-carboxaldehyde, 3,4-dihydro-4-methyl- (9CI)
(R)-5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
3-(Dimethylamino)-1-(5-pyrimidinyl)-2-propen-1-one
Quinoxaline, 1,2,3,4-tetrahydro-2-methyl-1-nitroso- (9CI)
(2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-YL)METHYLAMINE
[1-(1(R)-ALPHA-METHYLBENZYL)-AZIRIDIN-2(R)-YL]-METHANOL
(S)-2-Amino-1,2,3,4-tetrahydro-7-methoxynaphthalene
5,6,7-TRIMETHYL-2,6-DIHYDRO-1H-PYRROLO[3,4-D]PYRIDAZIN-1-ONE
1H-Benzimidazol-4-ol,1-methyl-2-(methylamino)-(9CI)
1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone
(S)-2-Amino-1,2,3,4-tetrahydro-6-methoxy-naphthalene
2,2-Dimethyl-2,3-Dihydro-Benzo[E][1,3]Oxazin-4-One
[1-(1(R)-ALPHA-METHYLBENZYL)-AZIRIDINE-2(S)-YL]-METHANOL
(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID
(R)-1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid
diethyl 2-(trideuteriomethyl)propanedioate
C8H11D3O4 (177.10803593400001)
8-methyl-8-azabicyclo[3.2.1]octan-3-ol,hydrochloride
endo-8-azabicyclo[3.2.1]octane-3-methanol hydrochloride
1H-Benzimidazole-2-methanol,5-amino-1-methyl-(9CI)
2-[3-(Dimethylamino)-1-Methoxy-2-Propenylidene]Malononitrile
(S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID
(R)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID
(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
(S)-(-)-5,5-DIPHENYL-4-(TERT-BUTYL)-2-OXAZOLIDINONE
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexane
Benzene, 1-[(1R)-1-isocyanatoethyl]-3-methoxy- (9CI)
Benzene, 1-[(1S)-1-isocyanatoethyl]-3-methoxy- (9CI)
1H-Benzimidazole-2-methanamine,N-hydroxy-1-methyl-(9CI)
2-(Methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
Pyrido[2,3-b]pyrazin-3(2H)-one, 1,4-dihydro-1,6-dimethyl- (9CI)
(1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
1-(2-methylpyridin-4-yl)cyclopropane-1-carboxylic acid
cyclopropylmethyl-(4-methoxy-phenyl)-amine hydrochloride
(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
2,3-dihydro-1h-indole-2-carboxylic acid methyl ester
3a,4,7,7a-tetrahydro-4,7-ethano-1H-isoindole-1,3(2H)-dione
2-(1-methylethylidene)hydrazinecarboximidamide nitrate
(2,2-diMethyl-2,3-dihydrobenzofuran-5-yl)MethanaMine
3-[Dimethoxy(methyl)silyl]-N-methyl-1-propanamine
C7H19NO2Si (177.11849940000002)
1-(2-AMINO-1-PHENYL-ETHYL)-PYRROLIDINE-3-CARBOXYLICACID
B-(1,2,3,4-tetrahydro-7-isoquinolinyl)boronic acid
3-EXO-HYDROXYMETHYLBICYCLO[2.2.1!HEPTYL-2-EXO-AMINE, HYDROCHLORIDE
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate,hydrochloride
N-Tert-butyl-alpha-phenylnitrone
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents
(1Z)-4-(4-Fluorophenyl)-2-methylidenebutan-1-imine
Serotonin(1+)
An ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-hydroxy-N-methylmyosmine(1+)
An organic cation obtained by protonation of the tertiary amino function of 6-hydroxy-N-methylmyosmine; major species at pH 7.3.
L-canavanine(1+)
An alpha-amino-acid cation that is the conjugate acid of L-canavanine; major species at pH 7.3.
L-dihomomethionine
An L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms.
(3E)-4-(methylamino)-1-(pyridin-3-yl)but-3-en-1-one
L-dihomomethionine zwitterion
An L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-dihomomethionine; major species at pH 7.3.
N-Methyl-1-deoxynojirimycin
A hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by a methyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one
2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one
4-methoxy-3-indolylmethylamine(1+)
An organic cation obtained by protonation of the amino group of 4-methoxy-3-indolylmethylamine.