Exact Mass: 219.0484584
Exact Mass Matches: 219.0484584
Found 500 metabolites which its exact mass value is equals to given mass value 219.0484584
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Homoserine, O-succinyl-
Acquisition and generation of the data is financially supported in part by CREST/JST.
8-Methoxykynurenate
This compound belongs to the family of Quinoline Carboxylic Acids. These are Quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.
(4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate
Amidino-3-keto-scyllo-inosamine
(Z)-Oxamyl
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
1-Isothiocyanato-7-(methylsulfinyl)heptane
1-Isothiocyanato-7-(methylsulfinyl)heptane is found in brassicas. 1-Isothiocyanato-7-(methylsulfinyl)heptane is a flavour component of Japanese horseradish (Wasabia japonica). Flavour component of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-7-(methylsulfinyl)heptane is found in brassicas.
L-Oxalylalbizziine
L-Oxalylalbizziine is isolated from seeds of Acacia catechu (black catechu). Isolated from seeds of Acacia catechu (black catechu)
Methyl 2,6-dihydroxy-4-quinolinecarboxylate
Methyl 2,6-dihydroxy-4-quinolinecarboxylate is found in cereals and cereal products. Methyl 2,6-dihydroxy-4-quinolinecarboxylate is an alkaloid from the aleurone layer of rice Oryza sativa cv. heugjinmi. Alkaloid from the aleurone layer of rice Oryza sativa cv. heugjinmi. Methyl 2,6-dihydroxy-4-quinolinecarboxylate is found in cereals and cereal products.
Asparaginyl-Serine
Asparaginyl-Serine is a dipeptide composed of asparagine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylasparagine
Serylasparagine is a dipeptide composed of serine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
ID11614
ID11614 is a metabolite of lurasidone. Lurasidone (trade name Latuda) is an atypical antipsychotic developed by Dainippon Sumitomo Pharma. It was approved by the U.S. Food and Drug Administration (FDA) for treatment of schizophrenia on October 28, 2010 after a review that found that two of the four Phase III clinical trials supported efficacy, while one showed only marginal efficacy and one was not interpretable because of high drop-out rates. (Wikipedia)
1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
C10H9N3O3 (219.06438839999998)
Creatinine nitrite nitrate
Oxamyl
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Quinolobactin
A quinolinemonocarboxylic acid that is xanthurenic acid in which the hydroxy group at position 4 is replaced by a methoxy group. It is a siderophore isolated from Pseudomonas fluorescens ATCC 17400.
4-(methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amine
Ornidazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C258 - Antibiotic D011838 - Radiation-Sensitizing Agents Ornidazole(Ro 7-0207) is a 5-nitroimidazole derivative with antiprotozoal and antibacterial properties against anaerobic bacteria. Target: Antibacterial; Antiparasitic Ornidazole is a drug that cures some protozoan infections. Ornidazole 1 g/day is effective for the prevention of recurrence of Crohn's disease after ileocolonic resection [1]. Ornidazole is converted to reduction products that interact with DNA to cause destruction of helical DNA structure and strand leading to a protein synthesis inhibition and cell death in susceptible organisms [2].
N-hydroxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
C10H12F3NO (219.08709379999996)
3-amino-5-hydroxy-2-methoxy-1,4-naphthoquinone|goniothalaminone A
1-Isothiocyanato-7-(methylsulfinyl)-heptane
Acquisition and generation of the data is financially supported in part by CREST/JST.
FEN_220.0944_12.9
C10H12F3NO (219.08709379999996)
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 603
1-isothiocyanato-7-methanesulfinylheptane
Annotation level-3
7-(1-piperazinyl-thieno[2,3-c]pyridine, monohydrochloride
Asn-ser
A dipeptide composed of L-asparagine and L-serine joined by a peptide linkage.
Ser-asn
A dipeptide formed from L-serine and L-asparagine residues.
2-Imidazolidinone,1-(2-benzothiazolyl)-(9CI)
C10H9N3OS (219.04663039999997)
2,2,2-trifluoro-1-(3-nitrophenyl)ethanone
C8H4F3NO3 (219.01432699999998)
5-(Aminosulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester
3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
C10H9N3O3 (219.06438839999998)
2-Trifluoromethyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ol
ETHANONE, 1-[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-
C12H10FNO2 (219.06955320000003)
1-(4-nitrophenyl)-3-methyl-5-pyrazolone
C10H9N3O3 (219.06438839999998)
2-Chloro-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
2-amino-3-(3h-imidazol-4-yl)-propionic acid ethyl ester
IMIDAZO[1,2-A]PYRIDIN-3-YLMETHANAMINE DIHYDROCHLORIDE
ETHYL 3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE
C10H9N3O3 (219.06438839999998)
2H-Isoindole-2-aceticacid, 1,3-dihydro-a-methyl-1,3-dioxo-
(2,4-Dichloro-pyrimidin-5-ylmethyl)-isopropyl-amine
(2,6-Dichloro-pyrimidin-4-ylmethyl)-isopropyl-amine
{[(Cyanocarbonothioyl)carbamoyl](methyl)amino}benzene
C10H9N3OS (219.04663039999997)
Urea, N-(2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)-N-methyl- (9CI)
C10H9N3O3 (219.06438839999998)
3-ANILINO-2-CYANO-3-MERCAPTOACRYLAMIDE
C10H9N3OS (219.04663039999997)
2-phenyl-1,3-thiazole-4-carbohydrazide
C10H9N3OS (219.04663039999997)
1-(6-Methyl-5-nitro-1H-indazol-1-yl)-1-ethanone
C10H9N3O3 (219.06438839999998)
2-Nitro-4-(trifluoromethyl)benzaldehyde
C8H4F3NO3 (219.01432699999998)
(1H-PYRROLO[3,2-B]PYRIDIN-5-YL)METHANAMINE DIHYDROCHLORIDE
3-(2-OXO-2H-BENZO[B][1,4]OXAZIN-3-YL)PROPANOIC ACID
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde
2,2,2-TRIFLUORO-1-(4-IODO-PHENYL)-ETHANONE
C8H4F3NO3 (219.01432699999998)
(3-[1,2,4]Triazol-4-yl-phenoxy)-acetic acid
C10H9N3O3 (219.06438839999998)
N-(4-Cyanomethyl-2-nitro-phenyl)-acetamide
C10H9N3O3 (219.06438839999998)
4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-amine
N,N,N-Trimethylmethanaminium hexafluorophosphate
C4H12F6NP (219.06115139999997)
5-METHYL-1-(2-NITROPHENYL)PYRAZOL-3-ONE
C10H9N3O3 (219.06438839999998)
3-(6-(trifluoromethyl)pyridine-3-yl)propanoic acid
6-(4-METHYLPHENYL)-3-THIOXO-3,4-DIHYDRO-1,2,4-TRIAZIN-5(2H)-ONE
C10H9N3OS (219.04663039999997)
(S)-1-ETHOXYCARBONYL-2-(3H-IMIDAZOL-4-YL)-ETHYLAMINE HCL
2-[(2-Chloro-6-fluorobenzyl)thio]ethylamine
C9H11ClFNS (219.02847279999997)
1-chloro-N-methyl-1-phenylpropan-2-amine,hydrochloride
Ethyl 2-Cyano-3-(2-fluorophenyl)acrylate
C12H10FNO2 (219.06955320000003)
imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride
N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-oxooxolan-3-yl]acetamide
methyl 3-(3-hydroxyphenyl)-1,2-oxazole-5-carboxylate
1-(2-AMINO-3-METHOXYPHENYL)-2,2,2-TRIFLUORO-ETHANONE
3-PYRIDIN-4-YL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
C10H9N3O3 (219.06438839999998)
2-(4-NITRO-PHENYL)-OXAZOL-4-YL-METHYLAMINE
C10H9N3O3 (219.06438839999998)
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
C10H9N3O3 (219.06438839999998)
3-chloro-N-(2,5-difluorophenyl)propanamide
C9H8ClF2NO (219.02624519999998)
3-Quinolinecarboxylicacid, 1,4-dihydro-8-methoxy-4-oxo-
(2E)-3-(5-FLUORO-3-METHYL-1H-INDOL-7-YL)- 2-PROPENOIC ACID
C12H10FNO2 (219.06955320000003)
1-(1,3-thiazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
(6-FLUORO-4H-1,3-BENZODIOXIN-8-YL)METHYLAMINE HYDROCHLORIDE
Uredepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Pyridinium,2-methyl-1-(phenylmethyl)-, chloride (1:1)
4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxylic acid
C10H9N3O3 (219.06438839999998)
3-(3-PYRIDIN-4-YL-1,2,4-OXADIAZOL-5-YL)PROPANOIC ACID
C10H9N3O3 (219.06438839999998)
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
C10H9N3O3 (219.06438839999998)
5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
C10H9N3O3 (219.06438839999998)
5-Ethyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
C10H9N3O3 (219.06438839999998)
Ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate
C10H9N3O3 (219.06438839999998)
6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)
C10H9N3O3 (219.06438839999998)
2-Amino-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
(R)-2-AMINO-3-(2,4,5-TRIFLUOROPHENYL)PROPANOIC ACID
Clortermine
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-AMINO-6-METHOXY-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
1-Methyl-3-(4-nitrophenyl)-1H-pyrazol-5-ol
C10H9N3O3 (219.06438839999998)
2-ANILINO-4-OXO-4,5-DIHYDROFURAN-3-CARBOXYLIC ACID
3-(Dimethylamino)-1-(2-thienyl)-1-propanone hydrochloride
3-METHYL-1-(3-NITROPHENYL)-5-PYRAZOLONE
C10H9N3O3 (219.06438839999998)
[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol
ethyl 4-oxo-1H-pyrido[3,4-d]pyrimidine-2-carboxylate
C10H9N3O3 (219.06438839999998)
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
(+/-)-3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINEHYDROCHLORIDE
(1H-pyrrolo[2,3-c]pyridin-2-yl)Methanamine dihydrochloride
3-Nitro-5-(trifluoromethyl)benzaldehyde
C8H4F3NO3 (219.01432699999998)
Thiazolo[5,4-g]quinolin-6(5H)-one, 2-amino-7,8-dihydro- (9CI)
C10H9N3OS (219.04663039999997)
2-cyano-N-(2-methyl-6-nitrophenyl)acetamide
C10H9N3O3 (219.06438839999998)
7-Methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
6-methoxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid
2-(7-AMINO-2-HYDROXY[1,8]NAPHTHYRIDIN-4-YL)-ACETIC ACID
C10H9N3O3 (219.06438839999998)
Ethyl 4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-2-carboxylate
C10H9N3O3 (219.06438839999998)
ETHYL ALPHA-CYANO-4-FLUOROCINNAMATE
C12H10FNO2 (219.06955320000003)
3-NITRO-4-(TRIFLUOROMETHYL)BENZALDEHYDE&
C8H4F3NO3 (219.01432699999998)
2-MERCAPTO-3-METHYL-6-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
C10H9N3OS (219.04663039999997)
(1H-benzo[d]imidazol-4-yl)Methanamine dihydrochloride
4-chloro-6-methyl-2-(6-methylpyridin-2-yl)pyrimidine
6,7,8-TRIHYDROXY-1-(HYDROXYMETHYL)-2-OXA-4-AZABICYCLO[3.3.1]NONAN-3-ONE
Benzenemethanamine,N-(2-chloroethyl)-N-methyl-, hydrochloride (1:1)
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
dl-normetanephrine hydrochloride
Normetanephrine ((±)-Normetanephrine) hydrochloride is the O-methylated metabolite of norepinephrine (NE)[1].
D-Mannonicacid, 2-(acetylamino)-2-deoxy-, g-lactone
Ethanone, 1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid
1-(1,3-benzothiazol-2-yl)-1-ethenylurea
C10H9N3OS (219.04663039999997)
3-(2,3-DIOXO-2,3-DIHYDRO-INDOL-1-YL)-PROPIONIC ACID
6-Isothiocyanato-2,3-dihydro-1,4-phthalazinedione
C9H5N3O2S (219.01024700000002)
Carbamimidothioic acid,2-(dimethylamino)ethyl ester, hydrochloride (1:2)
C5H15Cl2N3S (219.03636899999998)
4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine
3-amino-4-hydroxy-5-methoxy-benzoic acid , hydrochloride
1,4-Dihydro-7-methoxy-4-oxo-6-quinolinecarboxylic acid
5-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester
C12H10FNO2 (219.06955320000003)
(R)-2-(3,5-DIFLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE
C10H12ClF2N (219.06262859999998)
3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL
C10H9N3OS (219.04663039999997)
4-[(4-Fluorophenyl)sulfanyl]aniline
C12H10FNS (219.05179520000002)
1-(4-METHOXY-2-NITROPHENYL)-1H-IMIDAZOLE
C10H9N3O3 (219.06438839999998)
4-Nitro-3-(trifluoromethyl)benzaldehyde
C8H4F3NO3 (219.01432699999998)
4-CHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[5,4-D]AZEPINE HYDROCHLORIDE
(Z)-5-chloro-3-hydroxy-2-methylidene-5-phenylpent-4-enenitrile
4-methylsulfanyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
Epinephrine Hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid
C10H9N3O3 (219.06438839999998)
2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4-OL
3AR,5R,6S,7R,7AR-5-Hydroxymethyl-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D]thiazole-6,7-diol
Chlorphentermine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-[(1R,2R,3S,4R,6S)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]guanidine
(2-Imino-3-methyl-4-nitrosooxy-5-oxoimidazolidin-4-yl) nitrate
1-(4-Methyl-1,2,5-oxadiazol-3-yl)-3-pyridin-3-ylurea
4-(4-Methyl-1-oxido-2-triazol-1-iumyl)benzoic acid
C10H9N3O3 (219.06438839999998)
5-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
hydron;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
3-(dimethylaminomethylidene)-1H-isothiochromen-4-one
(2S)-2-amino-3-(5-fluoro-2-hydroxy-6-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid
3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypropanoate
2-acetamido-3-[(E)-prop-1-enyl]sulfinylpropanoic acid
2-(Trimethylazaniumyl)ethyl hydrogen phosphate;hydrochloride
C5H15ClNO4P (219.04271899999998)
Xanthurenic acid 8-methyl ether
A quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8.
4-amino-2-methyl-5-phosphooxymethylpyrimidine
An aminopyrimidine having the amino group at the 4-position together with methyl and phosphooxymethyl groups at the 2- and 5-positions respectively.
3-(5-hydroxyindol-3-yl)pyruvic acid
A hydroxyindole that is indole substituted by a 2-carboxy-2-oxoethyl group at position 2 and a hydroxy group at position 5.
N-acetyl-D-glucosamino-1,5-lactone
A deoxygluconolactone that results from the cyclisation and formal condensation of the carboxy group of 2-amino-2-deoxy-D-gluconic acid with its 5-hydroxy group. It is a sex pheromone found in the urine of female blue crabs, Callinectes sapidus. 2-Acetamido-2-deoxy-D-gluconolactone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=19026-22-3 (retrieved 2024-08-23) (CAS RN: 19026-22-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
SEP-363856 (hydrochloride)
SEP-363856 hydrochloride (SEP-856 hydrochloride), an orally active and CNS active psychotropic agent with a unique, non-D2/5-HT2A mechanism of action, exerts its antipsychotic-like effects. SEP-363856 hydrochloride (SEP-856 hydrochloride) has the potential for the study of schizophrenia[1].
SK609 (hydrochloride)
SK609 hydrochloride is a dopamine D3 receptor (D3R) selective agonist with an EC50 of 1109 nM. SK609 hydrochloride has the potential for parkinson research[1].
(z,2e)-n-[(1z)-2-(methylsulfanyl)ethenyl]-3-phenylprop-2-enimidic acid
(2s)-2-(carboxyformamido)-3-(c-hydroxycarbonimidoylamino)propanoic acid
8-methoxy-4-quinolone-2-caboxylicacid
{"Ingredient_id": "HBIN013806","Ingredient_name": "8-methoxy-4-quinolone-2-caboxylicacid","Alias": "NA","Ingredient_formula": "C11H9NO4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14076","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}