Exact Mass: 213.046
Exact Mass Matches: 213.046
Found 500 metabolites which its exact mass value is equals to given mass value 213.046,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Baclofen
Baclofen is a gamma-amino-butyric acid (GABA) derivative used as a skeletal muscle relaxant. Baclofen stimulates GABA-B receptors leading to decreased frequency and amplitude of muscle spasms. It is especially useful in treating muscle spasticity associated with spinal cord injury. It appears to act primarily at the spinal cord level by inhibiting spinal polysynaptic afferent pathways and, to a lesser extent, monosynaptic afferent pathways. M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents (R)-Baclofen (Arbaclofen) is a selective GABAB receptor agonist[1]. Baclofen, a lipophilic derivative of γ-aminobutyric acid (GABA), is an orally active, selective metabotropic GABAB receptor (GABABR) agonist. Baclofen mimics the action of GABA and produces slow presynaptic inhibition through the GABAB receptor. Baclofen has high blood brain barrier penetrance. Baclofen has the potential for muscle spasticity research[1][2][3].
OMETHOATE
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 3027
Chlorpropham
D006133 - Growth Substances > D010937 - Plant Growth Regulators CONFIDENCE standard compound; INTERNAL_ID 2623 CONFIDENCE standard compound; INTERNAL_ID 8450 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Benzyl nicotinate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Same as: D01419
N-phenylanthranilic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-hydroxylamino-2,6-dinitrotoluene
4-hydroxylamino-2,6-dinitrotoluene, also known as 4-hadnt, is a member of the class of compounds known as dinitrotoluenes. Dinitrotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. 4-hydroxylamino-2,6-dinitrotoluene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxylamino-2,6-dinitrotoluene can be found in a number of food items such as elderberry, pigeon pea, tea leaf willow, and tree fern, which makes 4-hydroxylamino-2,6-dinitrotoluene a potential biomarker for the consumption of these food products.
2-hydroxylamino-4,6-dinitrotoluene
2-hydroxylamino-4,6-dinitrotoluene, also known as 2-hadnt or 4,6-dinitro-2-hydroxylaminotoluene, is a member of the class of compounds known as dinitrotoluenes. Dinitrotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. 2-hydroxylamino-4,6-dinitrotoluene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxylamino-4,6-dinitrotoluene can be found in a number of food items such as rye, jujube, komatsuna, and allspice, which makes 2-hydroxylamino-4,6-dinitrotoluene a potential biomarker for the consumption of these food products.
Cetoniacytone A
A member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group.
Salicylanilide
CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8889 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4519; ORIGINAL_PRECURSOR_SCAN_NO 4518 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4485; ORIGINAL_PRECURSOR_SCAN_NO 4483 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4511; ORIGINAL_PRECURSOR_SCAN_NO 4507 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8917; ORIGINAL_PRECURSOR_SCAN_NO 8912 ORIGINAL_PRECURSOR_SCAN_NO 4498; CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4478; ORIGINAL_PRECURSOR_SCAN_NO 4476 CONFIDENCE standard compound; INTERNAL_ID 1155; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4461; ORIGINAL_PRECURSOR_SCAN_NO 4458 C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Baclofen
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID B013; [MS2] KO008869 KEIO_ID B013 Baclofen, a lipophilic derivative of γ-aminobutyric acid (GABA), is an orally active, selective metabotropic GABAB receptor (GABABR) agonist. Baclofen mimics the action of GABA and produces slow presynaptic inhibition through the GABAB receptor. Baclofen has high blood brain barrier penetrance. Baclofen has the potential for muscle spasticity research[1][2][3].
m-Chlorohippuric acid
m-Chlorohippuric acid is an inactive metabolite of Bupropion. The formation of m-chlorobenzoic acid involves side chain cleavage of bupropion to an acidic metabolite in humans (PMID: 3107223) [HMDB] m-Chlorohippuric acid is an inactive metabolite of Bupropion. The formation of m-chlorobenzoic acid involves side chain cleavage of bupropion to an acidic metabolite in humans (PMID: 3107223).
Droxidopa
Droxidopa is a precursor of noradrenaline that is used in the treatment of Parkinsonism. It is approved for use in Japan and is currently in trials in the U.S. The racaemic form (dl-threo-3,4-dihydroxyphenylserine) has also been used, and has been investigated in the treatment of orthostatic hypotension. There is a deficit of noradrenaline as well as of dopamine in Parkinsons disease and it has been proposed that this underlies the sudden transient freezing seen usually in advanced disease. Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
N-Lactoyl ethanolamine phosphate
N-Lactoyl ethanolamine phosphate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
4-(Phenylamino)benzoic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
beta-L-Dioxolane-cytidine
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000970 - Antineoplastic Agents
Methyl 2-amino-3-(4-chlorophenyl)propanoate
4-((2-Nitro-1H-imidazol-1-yl)methoxy)-2-buten-1-ol
cassiarin A
An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum.
Bruceolline E
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by geminal-methyl groups at position 3 and oxo groups at positions 1 and 2. It has been isolated from the ethanol extract of the stems of Brucea mollis.
L-DOPS
Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
5-chloro-2-(3-methoxypropyl)pyridine-4-carbaldehyde
Carbamic acid,(3-chloro-4-methylphenyl)-, ethyl ester (9CI)
ETHYL 6,7-DIHYDRO-4H-PYRANO[4,3-D]-1,3-THIAZOLE-2-CARBOXYLATE
2,3-Dihydro-1H-cyclopenta(b)quinoline-9-carboxylic acid
(4-Chloro-Phenyl)-Dimethylamino-Acetic Acid Hydrochloride
2-ACETYLAMINO-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLIC ACID
4-(1-Aminocyclopropyl)benzoic acid hydrochloride (1:1)
1H-Isoindole-1-carboxylic acid, 2,3-dihydro-, Methyl ester, hydrochloride
4-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene
Methyl 7-chloro-2,3-dihydrobenzo[d]oxazole-2-carboxylate
5-AMINO-1H-PYRAZOLE-1,3-DICARBOXYLIC ACID ETHYL METHYL ESTER
1-METHYL-4-NITRO-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
D-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID HYDROCHLORIDE
N-(3,5-DIMETHYLPHENYL)-N-METHYLTHIOCARBAMOYLCHLORIDE
5-(4-FLUOROPHENYL)-1H-PYRAZOL-3-AMINE HYDROCHLORIDE
3-AMINO-3-(3-FLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(4-CHLORO-3-METHYL-PHENYL)-PROPIONIC ACID
4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid
BENZO[B]THIOPHEN-2-YLMETHYL-METHYL-AMMONIUM CHLORIDE
(+)-Baclofen
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
1-(2-Pyridinyl)-2-piperazinone hydrochloride (1:1)
droxidopa
A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent Droxidopa (L-DOPS; SM5688) is a potent, orally active norepinephrine precursor. Droxidopa increases standing blood pressure, ameliorates symptoms of orthostatic hypotension and improves standing ability. Droxidopa has the potential for the research of neurogenic orthostatic hypotension (nOH) and alternative ADHD (attention deficit hyperactivity disorder)[1][2][3][4].
5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-2,4-dioxo-1-phenyl-
1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLICACIDHYDROCHLORIDE
5-(2-Amino-1-chloro-2-oxoethyl)-1,3-benzodioxole, 2-Chloro-2-[3,4-(methylenedioxy)phenyl]acetamide
4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
Benzeneacetic acid, 5-fluoro-2-nitro-, Methyl ester
4-[(Methylsulfonyl)methyl]piperidine hydrochloride
4-(1-Aminocyclopropyl)phenylboronic acid hydrochloride
2-O-benzyl 3-O-ethyl (3S,3aS,6aR)-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-2,3-dicarboxylate
(2S)-2-amino-3-[1-(carboxymethyl)imidazol-4-yl]propanoic acid
(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
Hydrazinecarbothioamide,2-[(4-chlorophenyl)methylene]-
5-amino-2,3-dihydrophthalazine-1,4-dione,hydrochloride
5-Acetyl-2-methyl-4-thiazolecarboxylic acid ethyl ester
1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid hydrochloride
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-one dihydrochloride
L-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID HYDROCHLORIDE
Ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate
3-(CHLOROMETHYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-1,2,4-OXADIAZOLE
Methyl 5-isoindolinecarboxylate hydrochloride (1:1)
7-chloro-1,2,3,5-tetrahydro-5-oxoindolizine-8-carboxylic acid
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-7-carbaldehyde
4,4,4-TRIFLUORO-2-HYDROXYLIMINO-3-OXOBUTYRIC ACID ETHYL ESTER
1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID HYDROCHLORIDE
2-[(3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-yl)amino]ethanol
7-METHOXY-2,3-DIHYDROISOQUINOLIN-4(1H)-ONE HYDROCHLORIDE
1-Methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxylic Acid
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-
2-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRIDINE HYDROCHLORIDE
(2S)-2-(2-CHLORO-6-FLUORO-3-METHYLPHENYL)PYRROLIDINE
(R)-1-(2-Chloro-6-methyl-pyrimidin-4-yl)-pyrrolidin-3-ol
2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid
6-(dimethoxymethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
(S)-2-amino-3-(4-(chloromethyl)phenyl)propanoic acid
2-(CYCLOPROPYLCARBONYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
PYRIDINE, 4-[5-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL]-
ETHYL 1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLATE
2-CHLORO-5-ETHYLPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride
IMIDAZO[1,2-A]PYRIMIDINE-2-ACETIC ACID HYDROCHLORIDE
5-(4-TRIFLUOROMETHYL-PHENYL)-3,4-DIHYDRO2H-PYRROLE
L-Histidinol dihydrochloride
L-Histidinol dihydrochloride is an endogenous metabolite.
3-METHYL-4-NITRO-1-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carbaldehyde
METHYL 5-(2-METHOXY-2-OXOETHYL)-2-METHYLOXAZOLE-4-CARBOXYLATE
Phosphonic acid, (3-(acetylhydroxyamino)-2-hydroxypropyl)-, (R)-
o-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
4-((2-Nitro-1H-imidazol-1-yl)methoxy)-2-buten-1-ol
2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
Duazomycin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid ethyl ester
Troxacitabine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D000970 - Antineoplastic Agents
chlorpropham
D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
N-phenylanthranilic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Benzyl nicotinate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Same as: D01419
2-(Dihydroxyamino)-3-(4-hydroxyphenyl)propanoic acid
(2S,3R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
Methyl 2-({5-nitro-2-furyl}methylene)hydrazinecarboxylate
Arbaclofen
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant (R)-Baclofen (Arbaclofen) is a selective GABAB receptor agonist[1].
Fenamic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-Hydroxylamino-2,6-dinitrotoluene
A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.
2-Hydroxylamino-4,6-dinitrotoluene
A member of the class of nitrotoluenes that is 4,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 2.
6-hydroxy-L-dopa
An L-alpha-amino acid that is L-dopa carrying an additional hydroxy substituent at position 6.
sulfacetamide(1-)
An organic nitrogen anion that is the conjugate base of sulfacetamide arising from deprotonation of the N-acylsulfonamide function.
