Exact Mass: 193.091
Exact Mass Matches: 193.091
Found 500 metabolites which its exact mass value is equals to given mass value 193.091,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gentioflavin
Gentioflavine is a delta-lactone.
Butyl 4-aminobenzoate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
MDMA
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3613 CONFIDENCE standard compound; INTERNAL_ID 1712 D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Phenylacetylglycine
Phenylacetylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:. acyl-CoA + glycine < -- > CoA + N-acylglycine. Phenylacetylglycine or PAG is a glycine conjugate of phenylacetic acid. Phenylacetic acid may arise from exposure to styrene (plastic) or through the consumption of fruits and vegetables. Phenylacetic acid is used in some perfumes, possessing a honey-like odour in low concentrations, and is also used in penicillin G production. PAG is a putative biomarker of phospholipidosis. Urinary PAG is elevated in animals exhibiting abnormal phospholipid accumulation in many tissues and may thus be useful as a surrogate biomarker for phospholipidosis. (PMID: 15764292) The presence of phenylacetylglycine in urine has been confirmed for dogs, rats and mice. However, the presence of this compound in human urine is controversial. GC-MS studies have not found this compound (PMID: 7492634) while NMR studies claimed to have identified it (PMID: 21167146). It appears that phenylacetylglycine may sometimes be mistaken for phenylacetylglutamine via NMR. Phenylacetylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: Phenylacetylglycine is a gut microbial metabolite that can activate β2AR. Phenylacetylglycine protects against cardiac injury caused by ischemia/reperfusion[1]. Phenylacetylglycine is a gut microbial metabolite that can activate β2AR. Phenylacetylglycine protects against cardiac injury caused by ischemia/reperfusion[1].
2-Aminoanthracene
CONFIDENCE standard compound; INTERNAL_ID 8008 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(-)-Salsoline
(-)-Salsoline is a compound that crystallizes from alcohol solution, melts at 221 oC, soluble in hot alcohol and chloroform; used in medicine as an antihypertensive agent. Salsoline as well as salsolinol were found in male alcoholic inpatientss urine and lumbar cerebrospinal fluid when patients were still intoxicated after a heavy alcohol debauch and after they had been inpatients and off alcohol for one week.There was a wide interindividual variation and no statistical significant difference in the levels between the first and second sampling in CSF or urine.[PMID: 6935920]. (-)-Salsoline is a compound that crystallizes from alcohol solution, melts at 221 oC, soluble in hot alcohol and chloroform; used in medicine as an antihypertensive agent. D009676 - Noxae > D009498 - Neurotoxins
5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one
Cichorine
A member of the class of isoindoles that is 6-hydroxy-4-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one which is substituted at position 4, 5, and 6 by methoxy, methyl, and hydroxy groups, respectively. A secondary metabolite found in Aspergillus silvativus, Aspergillus nidulans and Alternaria cichorii, it is poisonous to Russian knapweed (Acroptilon repens).
4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one
4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)
2-Isopropylphenyl methylcarbamate
CONFIDENCE standard compound; INTERNAL_ID 1147; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9183; ORIGINAL_PRECURSOR_SCAN_NO 9181 DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 1147; ORIGINAL_ACQUISITION_NO 9195; ORIGINAL_PRECURSOR_SCAN_NO 9193 CONFIDENCE standard compound; INTERNAL_ID 1147; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9195; ORIGINAL_PRECURSOR_SCAN_NO 9193 CONFIDENCE standard compound; INTERNAL_ID 1147; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9204; ORIGINAL_PRECURSOR_SCAN_NO 9200 CONFIDENCE standard compound; INTERNAL_ID 1147; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9189; ORIGINAL_PRECURSOR_SCAN_NO 9184 CONFIDENCE standard compound; INTERNAL_ID 1147; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9197; ORIGINAL_PRECURSOR_SCAN_NO 9195 CONFIDENCE standard compound; INTERNAL_ID 1147; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9225; ORIGINAL_PRECURSOR_SCAN_NO 9224 2-Isopropylphenyl methylcarbamate is an Agricultural insecticide used on rice, cocoa, sugar cane, vegetables and other crop C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
2,3,5-Trimethacarb
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone is considered to be practically insoluble (in water) and acidic
3-Carbamoyl-2-phenylpropionaldehyde
3-Carbamoyl-2-phenylpropionaldehyde is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)
2-Methylhippuric acid
2-Methylhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases, the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine <--> CoA + N-acylglycine. 2-Methylhippuric acid is a metabolite of xylene which is an aromatic hydrocarbon widely used as a solvant. Its level can be measured in the urine of workers exposed to xylene (PMID:8689499). 2-Methylhippuric acid is an endogenous phenolic acid metabolite detected after the consumption of whole grain. Methylhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: 2-(2-Methylbenzamido)acetic acid is a metabolite detected in urine.
m-Methylhippuric acid
m-Methylhippuric (m-MHA)acid is the principal metabolite of m-xylene. Most of the m-xylene inhaled by workers will be excreted in urine as m-MHA. [HMDB] m-Methylhippuric (m-MHA)acid is the principal metabolite of m-xylene. Most of the m-xylene inhaled by workers will be excreted in urine as m-MHA. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
p-Methylhippuric acid
p-Methylhippuric (p-MHA)acid is the principal metabolite of p-xylene. Most of the p-xylene inhaled by workers will be excreted in urine as p-MHA. [HMDB] p-Methylhippuric (p-MHA)acid is the principal metabolite of p-xylene. Most of the p-xylene inhaled by workers will be excreted in urine as p-MHA.
Methyl hippurate
Methylhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. Methylhippuric acid is a metabolite of xylene which is an aromatic hydrocarbon widely used as a solvant. The amount of methylhippuric acid can be measured in urine of workers exposed to xylene (PMID 8689499). Methylhippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
Methyl n-acetylanthranilate
Methyl n-acetylanthranilate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Betamipron
Betamipron is an artificial sweetene Artificial sweetener
(R)-N-Methylsalsolinol
1(R),2(N)-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline [N-methyl-(R)salsolinol, NM(R)Sal] is the most potent toxin among isoquinolines. Endogenous isoquinolines with and without catechol structure have been proposed to be neurotoxins specific for dopamine neurons. (PMID 9085193). (R)salsolinol N-methyltransferase synthesizes N-methyl(R)salsolinol, which is further oxidized into 1,2-dimethyl-6,7-dihydroxyisoquinolinium ion by non-enzymatic and enzymatic oxidation. (PMID 14697894). Dopamine-derived N-methyl(R)salsolinol is an endogenous MPTP-like neurotoxin to cause Parkinsons disease. In the cerebrospinal fluid from newly diagnosed untreated patients with Parkinsons disease, the level of this toxin was found to increase significantly, compared to control and a disease control, multiple system atrophy. L-DOPA therapy did not seem to affect the level of this toxin. The results suggest that N-methyl(R)salsolinol level in the cerebrospinal fluid may indicate remaining dopamine neurons in the parkinsonian brain. (PMID 10076861). N-methyl(R)salsolinol (NM(R)Sal) induces apoptosis (but not necrosis) in SH-SY5Y cells, and the apoptotic cascade is initiated by mitochondrial permeability transition and activated by stepwise reactions. (PMID 12200198). 1(R),2(N)-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline [N-methyl-(R)salsolinol, NM(R)Sal] is the most potent toxin among isoquinolines. Endogenous isoquinolines with and without catechol structure have been proposed to be neurotoxins specific for dopamine neurons. (PMID 9085193) D009676 - Noxae > D009498 - Neurotoxins
(S)-N-Methylsalsolinol
1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline is an endogenous amine in parkinsonian and normal human brain. (PMID 2049084). Endogenous isoquinolines with and without catechol structure have been proposed to be neurotoxins specific for dopamine neurons. (PMID 9085193). 1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline is an endogenous amine in parkinsonian and normal human brain. (PMID 2049084)
(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline
This compound is a derivative of Tetrahydroisoquinoline, which is involved in the Tyrosine metabolism as a reaction product of S-adenosyl L-methionine with salsolinol. Tetrahydroisoquinoline derivatives may be formed in the body as metabolites of some drugs, and this was once thought to be involved in the development of alcoholism.This theory has now been discredited and is no longer generally accepted by the scientific community, but endogenous production of neurotoxic tetrahydroisoquinoline derivatives such as norsalsolinol continue to be investigated as possible causes for some conditions such as Parkinsons disease. This compound is a derivative of Tetrahydroisoquinoline, which is involved in the Tyrosine metabolism as a reaction product of S-adenosyl L-methionine with salsolinol
2-Methylpropyl 2-aminobenzoate
2-Methylpropyl 2-aminobenzoate is used in food flavourin It is used in food flavouring
Butyl 2-aminobenzoate
Butyl 2-aminobenzoate is used in fruit food flavouring. It is used in fruit food flavouring
Ethyl N-ethylanthranilate
Possibly used as a flavouring agent; listed in the FDA inventory of substances added to food. Possibly used as a flavouring agent; listed in the FDA inventory of substances added to food
4-Anilino-4-oxobutanoic acid
4-Anilino-4-oxobutanoic acid is a metabolite of vorinostat. Vorinostat or suberoylanilide hydroxamic acid (SAHA) is a member of a larger class of compounds that inhibit histone deacetylases (HDAC). Histone deacetylase inhibitors (HDI) have a broad spectrum of epigenetic activities. Vorinostat is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL) when the disease persists, gets worse, or comes back during or after treatment with other medicines. (Wikipedia)
N-Formylphenylalanine
N-Formylphenylalanine, also known as OHC-Phe-OH, belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Formylphenylalanine has been identified in the human placenta (PMID: 32033212).
(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
Methoxyphedrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
4-(Butylamino)benzoic acid
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
1-(4-Carboxyphenyl)-3,3-dimethyltriazene
D000970 - Antineoplastic Agents
Iminostilbene
D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators
3,4-Methylenedioxymethamphetamine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Methyl-6-(phenylethynyl)pyridine
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants MPEP is a potent, selective, noncompetitive, orally active and systemically active mGlu5 receptor antagonist, with an IC50 of 36 nM for completely inhibiting quisqualate-stimulated phosphoinositide (PI) hydrolysis. MPEP has anxiolytic-or antidepressant-like effects[1][2]. MPEP is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
S-Butylcysteine sulfoxide
S-butylcysteine sulfoxide 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. S-butylcysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). S-butylcysteine sulfoxide can be found in soft-necked garlic, which makes S-butylcysteine sulfoxide a potential biomarker for the consumption of this food product.
2-(1,2-Dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
N-Benzoylalanine
An N-acylamino acid that is the N-benzoyl derivative of alanine.
Iminostilbene
D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators CONFIDENCE standard compound; INTERNAL_ID 2461 CONFIDENCE standard compound; INTERNAL_ID 8780 CONFIDENCE standard compound; INTERNAL_ID 4133 CONFIDENCE standard compound; EAWAG_UCHEM_ID 992 CONFIDENCE standard compound; INTERNAL_ID 2048
Methoxyphedrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Ethyl 4-dimethylaminobenzoate
CONFIDENCE standard compound; INTERNAL_ID 2466 CONFIDENCE standard compound; INTERNAL_ID 8803 INTERNAL_ID 8803; CONFIDENCE standard compound
actarit
C29629 - Combination Medication > C29634 - Antirheumatic Preparation D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 1198; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6156; ORIGINAL_PRECURSOR_SCAN_NO 6153 CONFIDENCE standard compound; INTERNAL_ID 1198; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6166; ORIGINAL_PRECURSOR_SCAN_NO 6164 CONFIDENCE standard compound; INTERNAL_ID 1198; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6183; ORIGINAL_PRECURSOR_SCAN_NO 6181 CONFIDENCE standard compound; INTERNAL_ID 1198; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6180; ORIGINAL_PRECURSOR_SCAN_NO 6179 CONFIDENCE standard compound; INTERNAL_ID 1198; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6189; ORIGINAL_PRECURSOR_SCAN_NO 6187 CONFIDENCE standard compound; INTERNAL_ID 1198; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6191; ORIGINAL_PRECURSOR_SCAN_NO 6190
N,N-diethyl-4-hydroxybenzamide
[Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_neg_50eV_000031.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_neg_40eV_000031.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_neg_30eV_000031.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_neg_20eV_000031.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_neg_10eV_000031.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_pos_50eV_CB000066.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_pos_40eV_CB000066.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_pos_30eV_CB000066.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_pos_20eV_CB000066.txt [Raw Data] CB172_N; N-Diethyl-4-hydroxybenzamide_pos_10eV_CB000066.txt
7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-8-ol
1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
6-Hydroxy-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
N3,N6-dimethyl-2-methoxyadenine|N6-methylmucronatine
4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
1,3,7-trimethylisoguanine
A natural product found in Paramuricea clavata and Pseudodistoma cereum.
4-Nitroso-benzoesaeure-isopropylester|4-nitroso-benzoic acid isopropyl ester
N-hydroxydihomomethionine
An N-hydroxy-alpha-amino acid bearing a 5-thiahexyl substituent at the 2-position.
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Phenylacetylglycine
A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. Phenylacetylglycine is a gut microbial metabolite that can activate β2AR. Phenylacetylglycine protects against cardiac injury caused by ischemia/reperfusion[1]. Phenylacetylglycine is a gut microbial metabolite that can activate β2AR. Phenylacetylglycine protects against cardiac injury caused by ischemia/reperfusion[1].
METHYL HIPPURATE
A glycine derivative that is the methyl ester of hippuric acid.
3-Methylhippuric acid
CONFIDENCE standard compound; INTERNAL_ID 129 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Diphenylacetonitrile
CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8194; ORIGINAL_PRECURSOR_SCAN_NO 8191 CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8198; ORIGINAL_PRECURSOR_SCAN_NO 8196 CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8222; ORIGINAL_PRECURSOR_SCAN_NO 8220 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8222; ORIGINAL_PRECURSOR_SCAN_NO 8220 CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8221; ORIGINAL_PRECURSOR_SCAN_NO 8217 CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8232; ORIGINAL_PRECURSOR_SCAN_NO 8230 CONFIDENCE standard compound; INTERNAL_ID 1263; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8242; ORIGINAL_PRECURSOR_SCAN_NO 8237
2-Methylhippuric acid
2-(2-Methylbenzamido)acetic acid is a metabolite detected in urine.
2-(2-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
2-(4-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
2-(3-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole
Buformin hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98234 - Biguanide Antidiabetic Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides Buformin hydrochloride (1-Butylbiguanide hydrochloride), a potent AMPK activator, acts as an orally active biguanide antidiabetic agent. Buformin hydrochloride decreases hepatic gluconeogenesis and lowers blood glucose production in vivo. Buformin hydrochloride also has anti-cancer activities and is applied in cancer study (such as, cervical cancer and breast cancer, et al)[1].
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
Hydrazinecarboxamide,2-[(4-methoxyphenyl)methylene]-
2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid(SALTDATA: FREE)
cis-2-amino-2-methyl-cyclohexane carboxylic acid hydrochloride
2-amino-5,6,7,8-tetrahydro-4-quinazolinecarboxylic acid(SALTDATA: 0.1NaCl)
trans-2-(4-Aminocyclohexyl)acetic acid hydrochloride
METHYL 2-METHYL-PIPERIDINE-3-CARBOXYLATE DIHYDROCHLORIDE
Methyl 2-amino-4-cyclopropylpyrimidine-5-carboxylate
Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate
6-Methyl-3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine
METHYL 3-AMINOCYCLOHEXANECARBOXYLATE HYDROCHLORIDE
Methyl 4-Aminocyclohexanecarboxylate Hydrochloride (cis- and trans- Mixture)
(1R,2S)-REL-ETHYL 2-AMINOCYCLOPENTANECARBOXYLATE HYDROCHLORIDE
3-Piperidinecarboxylic acid, 6-Methyl-, Methyl ester, hydrochloride
(+/-)-TRANS-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
4-METHYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-7-CARBOXYLIC ACID
Cyclopentanecarboxylicacid, 1-amino-, ethyl ester, hydrochloride (1:1)
1H-Indene-2-carboxylicacid,1-amino-2,3-dihydro-5-hydroxy-(9CI)
Methyl trans-3-aminocyclohexanecarboxylate hydrochloride
1H-Benzimidazole-4,7-diol,1-methyl-2-(methylamino)-(9CI)
Methyl 1-aminocyclohexanecarboxylate hydrochloride
Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-5-carboxylate
7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
(2R,3S,4S,5R,6S)-2-(AMINOMETHYL)-6-METHOXYTETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
2-Amino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxamide
2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
1H-Azepine-2-carboxylic acid, hexahydro-1-methyl-, hydrochloride (1:1)
2-AMINO-1-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-ETHANONE
(R)-METHYL 2-(PIPERIDIN-3-YL)ACETATE HYDROCHLORIDE
6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
(S)-Methyl 2-(piperidin-3-yl)acetate hydrochloride
methyl 7-amino-2,3-dihydrobenzofuran-2-carboxylate
(S)-Methyl 2-amino-2-cyclopentylacetate hydrochloride
1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID
2-Amino-1-(4-methyl-1-piperazinyl)-1-ethanone hydrochloride
(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)boronic acid
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
(1s,2r)-(+)-2-aminocycloheptanecarboxylic acid hydrochloride
4-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID
Methyl 3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylate
Methyl cis-4-aminocyclohexanecarboxylate hydrochloride
(R)-4-N-CBZ-PIPERAZINE-2-CARBOXYLICACIDMETHYLESTER
(1r,2s)-(-)-2-aminocycloheptanecarboxylic acid hydrochloride
D-7-HYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACID
6-amino-2,2-dimethyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
8-Amino-6-fluoro-5-methyl-3,4-dihydronaphthalen-1(2H)-one
Benzoic acid, 4-acetyl-2-amino-, methyl ester (9CI)
(S)-3-AMINO-3-CYCLOPENTYLPROPANOIC ACID HYDROCHLORIDE
Ethanol, 2,2-iminobis-, N-coco alkyl derivs., N-oxides
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine
Ethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
1H-Indole-2-carboxylicacid,2,3-dihydro-5-methoxy-(9CI)
methyl 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
4-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
(3S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
Methyl hexahydro-1H-azepine-2-carboxylate hydrochloride
7-AMINO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
6-Hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-AMINO-3,4-DIHYDRO-
Methyl 4-aminocyclohexanecarboxylate hydrochloride
2-Amino-6,7-dimethyl-6,7-dihydropteridin-4(1H)-one
3,4-Dihydro-7-hydroxy-6-methoxy-1(2H)-isoquinolinone
2-amino-5-(aminomethyl)-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
N-[2-(4-hydroxyphenyl)-2-oxoethyl]acetamide
A natural product found in Cystobacter ferrugineus.
1-[2-(1h-Imidazol-5-yl)ethyl]-2,5-pyrrolidinedione
2-Amino-5-(methylaminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
amino(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methaniminium
2-(3-Fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
2-Anthramine
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
m-Methylhippuric acid
An N-acylglycine that is the 3-methyl derivative of hippuric acid.
MPEP
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants MPEP is a potent, selective, noncompetitive, orally active and systemically active mGlu5 receptor antagonist, with an IC50 of 36 nM for completely inhibiting quisqualate-stimulated phosphoinositide (PI) hydrolysis. MPEP has anxiolytic-or antidepressant-like effects[1][2]. MPEP is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
5H-dibenzo[b,f]azepine
A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings.
p-Methylhippuric acid
An N-acylglycine in which the acyl group is specified as 4-methylbenzoyl.
O-Methylhippuric acid
An N-acylglycine that is the ortho-methyl derivative of hippuric acid.
(5s)-5-hydroxy-1-(4-hydroxyphenyl)pyrrolidin-2-one
(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enimidic acid
1-[2-(furan-2-yl)-2-oxoethyl] pyrroli-din-2-one
{"Ingredient_id": "HBIN000854","Ingredient_name": "1-[2-(furan-2-yl)-2-oxoethyl] pyrroli-din-2-one","Alias": "NA","Ingredient_formula": "C10H11NO3","Ingredient_Smile": "C1CC(=O)N(C1)CC(=O)C2=CC=CO2","Ingredient_weight": "193.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38408","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "62018463","DrugBank_id": "NA"}
3,4-dihydro-6,7-dihydroxy-1(2h)-isoquinolinone; 6-me ether
{"Ingredient_id": "HBIN007358","Ingredient_name": "3,4-dihydro-6,7-dihydroxy-1(2h)-isoquinolinone; 6-me ether","Alias": "NA","Ingredient_formula": "C10H11NO3","Ingredient_Smile": "NA","Ingredient_weight": "193.2","OB_score": "NA","CAS_id": "157669-72-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8293","PubChem_id": "NA","DrugBank_id": "NA"}
