Exact Mass: 289.1346
Exact Mass Matches: 289.1346
Found 199 metabolites which its exact mass value is equals to given mass value 289.1346,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Benzoyl ecgonine
Benzoylecgonine is the major metabolite of cocaine. It is formed by hydrolysis of cocaine in the liver, catalysed by carboxylesterases. It is excreted in the urine of cocaine users after processing in the liver. [Wikipedia] CONFIDENCE standard compound; INTERNAL_ID 1590
Imazethapyr
Imazethapyr is a widely used imidazolinone herbicide worldwide, and its potential adverse effects on non-target plants have raised concerns. Understanding the mechanisms of imazethapyr phytotoxicity is crucial for its agro-ecological risk assessment.
Ophthalmic acid
Ophthalmic acid, also known as ophthalmate, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Ophthalmic acid is a very strong basic compound (based on its pKa). Ophthalmic acid is an L-glutamine derivative in which L-glutamine is substituted by a 1--1-oxobutan-2-yl at the terminal amino nitrogen atom. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens. [HMDB]
Balfourodine
Zephyranthine
Tabtoxin
A monobactam phytotoxic dipeptide produced by Pseudomonas syringae, that causes wildfire disease in tobacco.
Aspartyl-Arginine
Aspartyl-Arginine is a dipeptide composed of aspartate and arginine. 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.
Arginylaspartic acid
Arginylaspartic acid is a dipeptide composed of arginine and aspartic acid. 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.
Chloropyramine
Chloropyramine is a first generation antihistamine drug approved in some Eastern European countries for the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. Related indications for clinical use include Quinckes edema, allergic reactions to insect bites, food and drug allergies, and anaphylactic shock. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Norcocaine
Norcocaine belongs to the family of Beta Amino Acids and Derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
Hydroxylated N-acetyl desmethyl frovatriptan
Hydroxylated N-acetyl desmethyl frovatriptan is a metabolite of frovatriptan. Frovatriptan (trade name Frova) is a triptan drug developed by Vernalis for the treatment of migraine headaches and for short term prevention of menstrual migraine. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe. (Wikipedia)
(2R,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Z7N4S72301
Dihydrolycorine is a natural product found in Lycoris radiata, Pancratium maritimum, and Galanthus trojanus with data available. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2]. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2].
4-methoxy-1-methyl-8-(2-oxo-3-methylbutoxy)-2-quinolone
2-Methoxy-4,5-methylendioxyzimtsaeure-piperidid|2-methoxy-4,5-methylenedioxy-trans-cinnamoyl piperidide
1-Methyl-4-hydroxy-7-methoxy-3-(2,3-epoxy-3-methylbutane-1-yl)-1H-quinoline-2-one
1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2Zpropenyl] piperidine|1-[1-oxo-3-(3,4-methylenedioxy-5-methoxyphenyl)-2Z-propenyl]piperidine
ophthalmic acid
A L-glutamine derivative that is L-glutamine substituted by a 1-[(carboxymethyl)amino]-1-oxobutan-2-yl at the terminal amino nitrogen atom. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JCMUOFQHZLPHQP-BQBZGAKWSA-N_STSL_0170_Ophthalmic acid_0500fmol_180425_S2_LC02_MS02_88; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
6,8-dimethoxy-7-(3-methylbut-2-enyloxy)quinolin-2-ol|choisyaternatine
(+/-)-8-methoxyplatydesmine|(+/-)-O-methylbalfourodinium perchlorate|(??)-8-Methoxyplatydesmine|2,3-Dihydro-2-<1-hydroxy-isopropyl>-4.8-dimethoxy-furano<2,3-b>chinolin|2-(4,8-dimethoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propan-2-ol
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one
Benzoylecgonine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823
Dihydrolycorine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids, Lycorine alkaloids Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2]. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2].
Chloropyramine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Arg-Asp
A dipeptide formed from L-arginyl and L-aspartic acid residues.
Asp-arg
A dipeptide composed of L-aspartic acid and L-arginine joined by a peptide linkage.
1-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YLMETHYL]-1H-INDOLE-2,3-DIONE
Acetamide,N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-
4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE
2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate
(6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride
Benzyl 2-oxo-1-oxa-6-azaspiro[4.5]decane-6-carboxylate
ETHYL4-(4,4-DIMETHYL-2,6-DIOXOPIPERIDIN-1-YL)BENZOATE
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl tropate
6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid
2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid
(2S,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile
4,6-Dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile
4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
7-(2,5-Dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
3-(3,4,5-Timethoxyphenyl)propanoylpyrrole
A natural product found in Piper boehmeriaefolium.
(2S)-2-{[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino}-5-{[azaniumyl(imino)methyl]amino}pentanoate
(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate
N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine
(1S,14S,15S,16S)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,14,15-triol
1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4-acetoxy-5-methoxyphenyl]-
(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide
1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one
2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester
2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate
(6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate
2-[(1S)-1-ethyl-8-(hydroxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Ecgonine benzoate
A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.
(1s,14s,15s,16r)-5-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraene-4,14,15-triol
5-(2h-1,3-benzodioxol-5-yl)-n-(2-hydroxy-2-methylpropyl)penta-2,4-dienamide
3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one
2-[(2s)-4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propan-2-ol
3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
1-[1-oxo-3(3,4-methylenedioxy-5-methoxy-phenyl)-2zpropenyl] piperidine
{"Ingredient_id": "HBIN000486","Ingredient_name": "1-[1-oxo-3(3,4-methylenedioxy-5-methoxy-phenyl)-2zpropenyl] piperidine","Alias": "NA","Ingredient_formula": "C16H19NO4","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)C=CC(=O)N3CCCCC3","Ingredient_weight": "289.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT17039","TCMID_id": "16371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11426270","DrugBank_id": "NA"}
4α-dehydroxycrinamabine
{"Ingredient_id": "HBIN010197","Ingredient_name": "4\u03b1-dehydroxycrinamabine","Alias": "NA","Ingredient_formula": "C16H19NO4","Ingredient_Smile": "C1CC2C3(CCN2CC4=CC5=C(C=C43)OCO5)C(C1O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4981","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(±)-8-methoxyplatydesmine
{"Ingredient_id": "HBIN013819","Ingredient_name": "(±)-8-methoxyplatydesmine","Alias": "NA","Ingredient_formula": "C16H19NO4","Ingredient_Smile": "CC(C)(C1CC2=C(C3=C(C(=CC=C3)OC)N=C2O1)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14065","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
