Exact Mass: 337.198
Exact Mass Matches: 337.198
Found 130 metabolites which its exact mass value is equals to given mass value 337.198,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Lobeline
(-)-lobeline is an optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position. It has a role as a nicotinic acetylcholine receptor agonist. It is a piperidine alkaloid, a tertiary amine and an aromatic ketone. Lobeline is a natural product found in Lobelia sessilifolia, Lobelia inflata, and other organisms with data available. An alkaloid that has actions similar to NICOTINE on nicotinic cholinergic receptors but is less potent. It has been proposed for a variety of therapeutic uses including in respiratory disorders, peripheral vascular disorders, insomnia, and smoking cessation. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D019141 - Respiratory System Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.733 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.728
Danazol
Danazol is a synthetic steroid with anti-oestrogenic and anti progestogenic activity, and weak androgenic properties. Danazol suppresses oestrogen and progesterone receptors in the endometrium, leading to endometrial atrophy (thinning of the lining of the uterus) and reduced menstrual loss and to amenorrhoea in some women. Danazol significantly lowers the duration of menses when compared with NSAIDs and a progesterone releasing IUD; however, caused more adverse events than NSAIDs and progestogens. The use of Danazol may be limited by its side effect profile, its acceptability to women and the need for continuing treatment. Because danazol is structurally related to the anabolic steroid stanozolol, its use should be questioned. Derivatization methods and GC/MS data are used to implement danazol detection in routine screening and confirmation procedures in doping analysis. Danazol main metabolite ethisterone is excreted relatively fast in urine. (PMID: 17636649, 1640693, 16288903) [HMDB] Danazol is a synthetic steroid with anti-oestrogenic and anti progestogenic activity, and weak androgenic properties. Danazol suppresses oestrogen and progesterone receptors in the endometrium, leading to endometrial atrophy (thinning of the lining of the uterus) and reduced menstrual loss and to amenorrhoea in some women. Danazol significantly lowers the duration of menses when compared with NSAIDs and a progesterone releasing IUD; however, caused more adverse events than NSAIDs and progestogens. The use of Danazol may be limited by its side effect profile, its acceptability to women and the need for continuing treatment. Because danazol is structurally related to the anabolic steroid stanozolol, its use should be questioned. Derivatization methods and GC/MS data are used to implement danazol detection in routine screening and confirmation procedures in doping analysis. Danazol main metabolite ethisterone is excreted relatively fast in urine. (PMID: 17636649, 1640693, 16288903). CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9896; ORIGINAL_PRECURSOR_SCAN_NO 9894 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9859; ORIGINAL_PRECURSOR_SCAN_NO 9858 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9824; ORIGINAL_PRECURSOR_SCAN_NO 9822 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9882; ORIGINAL_PRECURSOR_SCAN_NO 9880 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9866; ORIGINAL_PRECURSOR_SCAN_NO 9865 CONFIDENCE standard compound; INTERNAL_ID 253; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9843; ORIGINAL_PRECURSOR_SCAN_NO 9841 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XA - Antigonadotropins and similar agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Nemorensine
3,6-Ditigloyloxytropan-7-ol
3,6-Ditigloyloxytropan-7-ol is found in fruits. 3,6-Ditigloyloxytropan-7-ol is an alkaloid present in Cyphomandra betacea (tree tomato
Amineptine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Inflatine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D019141 - Respiratory System Agents
Propanidid
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Amineptine
A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3alpha-(E)-4-hydroxysenecioyloxy-6beta-senecioyloxytropane
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid
5-hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
3alpha-(E)-4-hydroxysenecioyloxy-6beta-angeloyloxytropane
Danazol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XA - Antigonadotropins and similar agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid (candicidin related)
Methylmibefradil Metabolite (Acetic acid, methoxy-, 6-fluoro-1,2,3,4-tetrahydro-2-[2-(methylamino)et
3,6-Ditigloyloxytropan-7-ol
N-ethyl-N-(6-methoxyquinolin-8-yl)-N-propan-2-yl-propane-1,3-diamine
piperidinomethyl-3-phenylboronic acid pinacol ester hydrochloride
methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate
Tabersoninium(1+)
Conjugate acid of tabersonine arising from protonation of the tertiary amino group; major species at pH 7.3.
Plaquenil
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors
monacolin J carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of monacolin J acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Catharanthine(1+)
An ammonium ion resulting from thr protonation of the tertiary amino group of catharanthine. D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
Dehydrosecodine(1+)
A tertiary ammonium ion result from the protonation of the tertiary amino group of dehydrosecodine (the enamine form). An intermediate in the biosynthesis of aspidospermaand iboga alkaloids.
(2S,3S)-3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-5-oxopent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
Danazol, United States PharmacopeiaReference Standard
N-(1,4-Dihydroxy-4-methylpentan-2-YL)-3-hydroxy-5-oxo-6-phenylhexanamide
Methyl (2E,3E,5E,7E)-13-amino-2-ethylidene-11,12-dihydroxy-4,10-dimethyl-13-oxotrideca-3,5,7-trienoate
(E)-3-(Benzylamino)-5-phenyl-4-pentenoic acid tert-butyl ester
methyl (1R,12S,14S,15Z)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
(-)-Lobeline
An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position.
angryline(1+)
A methyl ester resulting from the formal condensation of the carboxy group of (5S,12bR,12cS)-7-carboxy-1-ethyl-3,6,8,12c-tetrahydro-4H-5,12b-ethanoindolo[3,2-a]quinolizin-5-ium with methanol.
3-hydroxy-4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
(1r,5r,7r,8r,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
2,10-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)trideca-1,5-diene-3,11-diol
(1s,4z,6r,7s,11r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(1r,3r,5s,6r)-8-methyl-6-[(3-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-4-hydroxy-3-methylbut-2-enoate
(1r,4s,6s,7s,17r)-4-ethyl-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,4e,6r,7r,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylate
(1r,3s,5s,6r,7r)-7-hydroxy-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2z)-2-methylbut-2-enoate
(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
{"Ingredient_id": "HBIN009621","Ingredient_name": "(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one","Alias": "(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-2-tetrahydrofuranyl]-2'-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-oxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3-[(2S,4S)-5-keto-4-methyl-tetrahydrofuran-2-yl]-3'-methyl-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-tetrahydrofuran-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one","Ingredient_formula": "C18H27NO5","Ingredient_Smile": "NA","Ingredient_weight": "337.41","OB_score": "85.51848529","CAS_id": "885056-81-5","SymMap_id": "SMIT10570","TCMID_id": "NA","TCMSP_id": "MOL009441","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-3,6-bis(tigloyloxy)tropane
{"Ingredient_id": "HBIN013226","Ingredient_name": "7-hydroxy-3,6-bis(tigloyloxy)tropane","Alias": "NA","Ingredient_formula": "C18H27NO5","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O","Ingredient_weight": "337.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9855","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21159066","DrugBank_id": "NA"}
