Exact Mass: 218.1015
Exact Mass Matches: 218.1015
Found 350 metabolites which its exact mass value is equals to given mass value 218.1015,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Abrine
N(alpha)-methyl-L-tryptophan is a N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. It has a role as an Escherichia coli metabolite. It is a L-tryptophan derivative and a N-methyl-L-alpha-amino acid. It is a tautomer of a N(alpha)-methyl-L-tryptophan zwitterion. N-Methyltryptophan is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.216 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.210 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.211 L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin. L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin.
N-Acetylserotonin
N-Acetylserotonin (NAS), also known as normelatonin, is a naturally occurring chemical precursor and intermediate in the endogenous production of melatonin from serotonin. It also has biological activity in its own right, including acting as a melatonin receptor agonist, an agonist of the TrkB, and having antioxidant effects. N-Acetylserotonin is an intermediate in the metabolic pathway of melatonin and indoleamine in the pineal gland of mammalians. Serotonin-N-acetyltransferase (SNAT), which regulates the rate of melatonin biosynthesis in the pineal gland, catalyzes the acetylation of 5HT to N-acetylserotonin (NAS). A methyl group from S-adenosylmethionine is transferred to NAS by hydroxyindole-O-methyltransferase (HIOMT), and finally NAS is converted to 5-methoxy-N-acetyltryptamine, or melatonin. In most mammalian species the content of NAS (and melatonin) in the pineal gland shows clear circadian changes with the highest level occurring during the dark period. This elevation of the contents of NAS (and melatonin) in the dark period is due to the increase of SNAT activity and the elevation of SNAT gene expression. Experimental studies show that N-acetylserotonin possess free radical scavenging activity. Acute administration of irreversible and reversible selective MAO-A inhibitors and high doses (or chronic administration of low doses) of relatively selective MAO-B inhibitors (but not of highly selective MAO-B inhibitors) suppressed MAO-A activity and stimulated N-acetylation of pineal serotonin into N-acetylserotonin, the immediate precursor of melatonin. N-acetylserotonin increase after MAO-A inhibitors might mediate their antidepressive and antihypertensive effects. N-Acetylserotonin is the product of the O-demethylation of melatonin mediated by cytochrome P-450 isoforms: Cytochrome p450, subfamily IIc, polypeptide 19 (CYP2C19, a clinically important enzyme that metabolizes a wide variety of drugs), with a minor contribution from Cytochrome p450, subfamily I, polypeptide (2CYP1A2, involved in O-deethylation of phenacetin). (PMID 15616152, 11103901, 10721079, 10591054). N-Acetylserotonin acts as a potent antioxidant, NAS effectiveness as an anti-oxidant has been found to be different depending on the experimental model used, it has been described as being between 5 and 20 times more effect than melatonin at protecting against oxidant damage. NAS has been shown to protect against lipid peroxidation in microsomes and mitochondria. NAS has also been reported to lower resting levels of ROS in peripheral blood lymphocytes and to exhibit anti-oxidant effects against t-butylated hydroperoxide- and diamide-induced ROS. N-acetyl serotonin, also known as N-acetyl-5-hydroxytryptamine or N-(2-(5-hydroxy-1h-indol-3-yl)ethyl)acetamide, is a member of the class of compounds known as hydroxyindoles. Hydroxyindoles are organic compounds containing an indole moiety that carries a hydroxyl group. N-acetyl serotonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N-acetyl serotonin can be found in a number of food items such as tronchuda cabbage, winter savory, rambutan, and poppy, which makes N-acetyl serotonin a potential biomarker for the consumption of these food products. N-acetyl serotonin can be found primarily in blood and urine, as well as in human kidney and liver tissues. In humans, N-acetyl serotonin is involved in the tryptophan metabolism. Moreover, N-acetyl serotonin is found to be associated with schizophrenia. N-Acetyl-5-hydroxytryptamine is a Melatonin precursor, and that it can potently activate TrkB receptor.
Primidone
An antiepileptic agent related to the barbiturates; it is partly metabolized to phenobarbital in the body and owes some of its actions to this metabolite. Adverse effects are reported to be more frequent than with phenobarbital. (From Martindale, The Extra Pharmacopoeia, 30th ed, p309) N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants EAWAG_UCHEM_ID 195; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 195 CONFIDENCE standard compound; INTERNAL_ID 4095 INTERNAL_ID 4095; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8502 CONFIDENCE standard compound; INTERNAL_ID 1516 KEIO_ID P061
L-2-Methyltryptophan
An L-tryptophan derivative in which the hydrogen at position 2 on the indole ring is replaced by a methyl group.
THIOFANOX
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Mephenytoin
Mephenytoin is a hydantoin-derivative anticonvulsant used to control various partial seizures. It is generally reserved for treatment of individuals refractory to less toxic agents. Mephenytoin and oxazolidinedione derivatives are associated with higher incidences of blood dyscrasias compared to other anticonvulsants. As such, these agents should not be used concurrently. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
(R)-Bitalin A
(R)-Bitalin A is found in herbs and spices. (R)-Bitalin A is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). (R)-Bitalin A is found in tea and herbs and spices.
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is found in fruits. S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is isolated from yellow passion fruit (Passiflora edulis). S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. 3-Acetylmercaptohexyl acetate is found in fruits.
3H-Pyrazol-3-one, 1,2-dihydro-4-(hydroxymethyl)-1,5-dimethyl-2-phenyl-
(S,E)-2-(5-Hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidene)acetic acid
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
N-Formylcytisine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.387 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.383 (-)-N-Formylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Formylcytisine is a cytisine-type alkaloid from the stem bark of Maackia amurensis[1].
ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
2-(1-Methylethenyl)-5-hydroxy-6-acetyl-2,3-dihydrobenzofuran
1-(6-hydroxy-2-isopropyl-benzofuran-5-yl)-ethanone|5-Acetyl-6-hydroxy-2-isopropylbenzofuran|5-Acetyl-6-hydroxy-2-isopropylbenzofuran|dihydroeuparin|Isohydroxytremeton
(2Z,6S)-3-Chloromethyl-6-methoxyl-7-methylocta-2,7(10)-dien-1-ol|6-Me ether-3-Chloromethyl-7-methyl-2, 7-octadiene-1, 6-diol
(2Z,6S)-3-Chloromethyl-1-methoxyl-7-methylocta-2,7(10)-dien-6-ol
2-penta-1,3-dienyl-2,3-dihydro-1-benzofuran-5,7-diol
4-Hydroxy-3-(3-methyl-4-oxo-2(E)-butenyl)acetophenon|4-Hydroxy-3-<3-methyl-4-oxo-2(E)-butenyl>acetophenon|Artemispermal
(2-(2)H2)(3aR,8aS)-1-acetyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-3a-ol
methyl 2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylate
2-propenyl-5-acetyl-7-hydroxy-2,3-dihydrobenzofuran
5-(1-Hydroxyethyl)-2-(1-methylethylidene)-3(2H)-benzofuranone
(2E,10R*,10aS*)-2-ethylidine-2,3,10,10a-tetrahydro-10-hydroxy-1H,5H-dipyrrolo<1,2-c:21-f>pyrimidin-5-one|(2E,10R*,10aS*)-2-ethylidine-2,3,10,10a-tetrahydro-10-hydroxy-1H,5H-dipyrrolo[1,2-c:21-f]pyrimidin-5-one
2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
4-Acetyl-2,3-dihydro-5-hydroxy-2-isopropenylbenzofuran
1-[2-(1-Methyl-2-hydroxyethyl)benzofuran-5-yl]ethanone
5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran
1-Methyltryptophan
A tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole. 1-methyl-L-tryptophan is an indolyl carboxylic acid.
2,2-DIMETHYL-6-ACETYL CHROMANONE
6-Acetyl-2,2-dimethylchroman-4-one is a natural product found in Tussilago farfara, Madia sativa, and other organisms with data available.
L-beta-Homotryptophan
Acquisition and generation of the data is financially supported in part by CREST/JST.
primidone
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
N-Acetylserotonin
An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. N-Acetyl-5-hydroxytryptamine is a Melatonin precursor, and that it can potently activate TrkB receptor.
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol_major
MEPHENYTOIN
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
CARBAMIC ACID, (2-CYANOPHENYL)-, 1,1-DIMETHYLETHYL ESTER
(1-Methyl-1H-benzoimidazol-2-yl)-acetic acid ethyl ester
3-METHOXY-4-(4-METHYL-IMIDAZOL-1-YL)-PHENYL]-METHANOL
ETHYL 1-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE
3-(2-Amino-ethyl)-2-methyl-1H-indole-5-carboxylic acid
5-Methyltryptophan
A tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring.
METHYL 1-ISOPROPYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
METHYL 1-ETHYL-2-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
Methyl 1-propyl-1H-benzo[d]imidazole-6-carboxylate
Methyl 1-isopropyl-1H-benzo[d]imidazole-6-carboxylate
(1R,5S)-3-BENZYL-6-NITRO-3-AZABICYCLO[3.1.0]HEXANE
1H-Benzimidazole-1-aceticacid,2-ethyl-alpha-methyl-(9CI)
1,2,3,4-tetrahydro-2-methyl-1-oxo-, methyl ester 2-Naphthalenecarboxylic acid
spiro[benzo[d][1,3]oxazine-4,4-piperidin]-2(1H)-one
2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-, ethyl ester
3-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-PROPIONIC ACID
(2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER
N-(4-fluorophenyl)-1-methylimidazole-4-carboximidamide
4-(2-HYDROXYETHYL)-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE
(R)-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLICACIDTERT-BUTYLESTER
3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
TERT-BUTYL 1H-PYRROLO[2,3-C]PYRIDINE-1-CARBOXYLATE
Ethanone,1-[3-(2-aminoethyl)-5-hydroxy-1H-indol-1-yl]-
4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic Acid
1-(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
Indoximod
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
Ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
2,3,4,5-TETRA-2-(PHENYLMETHYL)-3-PYRIDAZINE CARBOXYLIC ACID
2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(2-HYDROXYETHYL)-3-(1-METHYLETHENYL)-
1-methoxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-acetic acid
(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbonochloridate
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
(E)-N-Hydroxy-2,2-dimethyl-2H-chromene-6-carboxamidine
1-Methyl-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxyli c acid
N-Boc-3-aminobenzonitrile tert-Butyl 3-cyanophenylcarbamate
Trientine hydrochloride
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D064449 - Sequestering Agents > D002614 - Chelating Agents
3-(5,6-DIMETHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
3-AMINO-2-(1H-INDOL-3-YL)-PROPIONIC ACID METHYL ESTER
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
(2S)-3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate
(2S)-2-azaniumyl-3-(2-methyl-1H-indol-3-yl)propanoate
(2S)-2-azaniumyl-3-(1H-indol-3-yl)-2-methylpropanoate
(2S)-2-azaniumyl-3-(7-methyl-1H-indol-3-yl)propanoate
2-(Methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetic acid
(2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
(3-Carboxy-2-oxaldehydoyloxypropyl)-trimethylazanium
3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoate
Ethyl 2-(3-phenyl-2-propen-1-ylidene)hydrazinecarboxylate
5-Methyl-1-phenyl-6,8-dioxabicyclo[3.2.1]octan-3-one
(R)-pantothenate
A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.
pantothenate
A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group.
2-methyl-L-tryptophan zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-methyl-L-tryptophan; major species at pH 7.3.
N(alpha)-methyl-L-tryptophan zwitterion
An N-methyl-L-alpha-amino acid zwitterion derived from N(alpha)-methyl-L-tryptophan.
3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol
(2s)-2-amino-5-{[hydroxy(c-hydroxycarbonimidoylamino)methylidene]amino}pentanoic acid
1-(6-hydroxy-2-isopropyl-1-benzofuran-5-yl)ethanone
(3ar,8ar)-1h,2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl acetate
5-(1-hydroxyethyl)-2-(propan-2-ylidene)-1-benzofuran-3-one
5-(3,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-one
1-[(2r,3s)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(±)-2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylicacid methyl ester
{"Ingredient_id": "HBIN003981","Ingredient_name": "(±)-2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylicacid methyl ester","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
{"Ingredient_id": "HBIN005763","Ingredient_name": "2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C#CC1=C(C=CC(=C1CO)OC)O","Ingredient_weight": "218.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10513000","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012164","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=C(C(=C2)O)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
