Exact Mass: 333.1648258
Exact Mass Matches: 333.1648258
Found 202 metabolites which its exact mass value is equals to given mass value 333.1648258,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Spartioidine
A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12 and two oxo substituents at positions 11 and 16. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2297 [Raw Data] CB082b_Seneciphylline_pos_40eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_30eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_20eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_10eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_50eV_CB000034.txt Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
Tebufenpyrad
CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10180 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10178 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10204; ORIGINAL_PRECURSOR_SCAN_NO 10202 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10140; ORIGINAL_PRECURSOR_SCAN_NO 10138
Primidolol
C17H23N3O4 (333.16884780000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Same as: D02389
2-(4-methoxyphenyl)-1-phenyl-1-(2-pyridinyl)-2-butanol
Ipconazole
CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10110; ORIGINAL_PRECURSOR_SCAN_NO 10108 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10152; ORIGINAL_PRECURSOR_SCAN_NO 10150 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10120 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10154; ORIGINAL_PRECURSOR_SCAN_NO 10152 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097
Seneciphylline
1ST14177
Seneciphylline is a white powder. (NTP, 1992) LSM-2853 is a citraconoyl group. Seneciphylline is a natural product found in Senecio bollei, Tussilago farfara, and other organisms with data available. Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
Sinococuline
Sinococuline is a natural product found in Cocculus trilobus, Stephania excentrica, and Stephania cephalantha with data available.
Tropatepine
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
4,8-dimethyl-6-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-hydroxyquinoline|4,8-dimethyl-6-O-(2?,4?-di-O-methyl-beta-D-xylopyranosyl)hydroxyquinoline
1-(4-hydroxy-3-methoxypheny)-2-<(4-hydroxy-3-methoxyphenetyl)amino>ethanol|1-(4-hydroxy-3-methoxypheny)-2-[(4-hydroxy-3-methoxyphenetyl)amino]ethanol
3-(2-hydroxy-3-methyl-but-3-enyl)-4,7,8-trimethoxy-1-methyl-1H-quinolin-2-one|Isoptelefolin
Convolicine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Seneciphylline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.402 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.399 Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].
(7aS)-7c-(6-hydroxymethyl-benzo[1,3]dioxol-5-yl)-6c-methoxy-1-methyl-(7ar)-2,3,5,6,7,7a-hexahydro-indol-5t-ol|9,10-methanediyldioxy-1,6-dimethyl-6,7-seco-lycoran-4(12)-ene-5alpha,7-diol|Galanthusin|galanthusine|O6-methyl-tetrahydro-hippeastrine
Tebufenpyrad
[6-(2-methylbutan-2-yl)pyridin-2-yl]-diphenylphosphane
TERT-BUTYL 7-AMINO-4-OXO-3,4-DIHYDROSPIRO[BENZO[E][1,3]OXAZINE-2,4-PIPERIDINE]-1-CARBOXYLATE
C17H23N3O4 (333.16884780000004)
benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
Sibutramine hydrochloride monohydrate
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
Enpromate
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Pentanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-4-methyl-, 1,1-dimethylethyl ester, (2R)-
3-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile
2-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile
3-Oxo-3-(1-Cbz-Piperidin-4-Yl)-Propionic Acid Ethyl Ester
trans-4-Cyano[1,1-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate
3-nitro-2,6-di(piperidin-1-yl)benzoic acid
C17H23N3O4 (333.16884780000004)
Phe-Ala-Pro
C17H23N3O4 (333.16884780000004)
A tripeptide composed of L-phenylalanine, L-alanine and L-proline joined in sequence by peptide linkages.
5-[[[(5-Tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester
Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-
D004396 - Coloring Agents > D002232 - Carbocyanines
(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines
(4Z)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione
2-cyclopentyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone
3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide
C17H23N3O4 (333.16884780000004)
1,3-Dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
C17H23N3O4 (333.16884780000004)
3-hydroxy-7-(hydroxymethyl)-6-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
Spectinomycin(1+)
C14H25N2O7+ (333.16616799999997)
A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups.
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethyl-1-piperazinyl)acetamide
C17H23N3O4 (333.16884780000004)
N-[(1S)-2-hydroxy-1-phenylethyl]-N-(3-methylbut-2-enyl)-3-phenyl-2-propynamide
3-Ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
4-Hydroxy-5-heptyl-6H-pyrido[3,2,1-jk]carbazole-6-one
2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-
[(5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
pyranonigrin H
A member of the class of pyranopyrroles with formula C18H23NO5, originally isolated from Aspergillus niger.
(1s,12r,14s,15r,16s,17s)-4,5,15-trimethoxy-13-oxa-9-azapentacyclo[7.7.1.0²,⁷.0¹²,¹⁴.0¹²,¹⁷]heptadeca-2(7),3,5-trien-16-ol
3-{2,4-dihydroxy-5-[(1-hydroxy-7-methylocta-2,4-dien-1-ylidene)amino]phenyl}propanoic acid
4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-15-ene-3,8-dione
(1r,8s,10s,11r,12r)-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-triene-3,11,12-triol
(1r,3r,5s)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
8-acetyl-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
(1r,4e,7r,17r)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1s,10s,13s)-13-(hydroxymethyl)-10-isopropyl-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-2,4,6,8(15),11-pentaene-1,2,11-triol
C17H23N3O4 (333.16884780000004)
(2s,3r,4s,5r)-2-[(4,8-dimethylquinolin-6-yl)oxy]-3,5-dimethoxyoxan-4-ol
(e,2e)-n-[(1e)-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethenyl]-3-phenylprop-2-enimidic acid
2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-4',5-dione
n-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethenyl)-3-phenylprop-2-enimidic acid
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9-trien-13-ol
(3s,5s)-3-hydroxy-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-1,3-dimethylpyrrolidine-2,4-dione
(1r,4e,7r,17s)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,10s,13s)-13-(hydroxymethyl)-10-isopropyl-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-2,4,6,8(15),11-pentaene-1,2,11-triol
C17H23N3O4 (333.16884780000004)
7-[6-(hydroxymethyl)-2h-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,3,5,6,7,7a-hexahydroindol-5-ol
4,5,15-trimethoxy-13-oxa-9-azapentacyclo[7.7.1.0²,⁷.0¹²,¹⁴.0¹²,¹⁷]heptadeca-2(7),3,5-trien-16-ol
(1s,13s,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9-trien-13-ol
3a-[6-(hydroxymethyl)-2h-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-3,6,7,7a-tetrahydro-2h-indol-3-ol
13-(hydroxymethyl)-10-isopropyl-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-2,4,6,8(15),11-pentaene-1,2,11-triol
C17H23N3O4 (333.16884780000004)
4,5,14-trimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,11-tetraene-13,15-diol
5,11-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10-tetraene-4,12,13-triol
(1r,4z,7s,11r,17r)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-15-ene-3,8-dione
(3s,11as,11bs)-5-[(3s)-3-amino-3-carboxypropyl]-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
C17H23N3O4 (333.16884780000004)
3-hydroxy-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-1,3-dimethylpyrrolidine-2,4-dione
4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-triene-3,11,12-triol
(1s,9s,12s,13s)-5,11-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10-tetraene-4,12,13-triol
(2z,5s,7r,8s,9r)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,13(17),14-tetraene-5,7-diol
15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,13(17),14-tetraene-5,7-diol
(1s,4e,7r)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,8s,10s,11r,12s)-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-triene-3,11,12-triol
3-(2,4-dihydroxy-5-{[(2e,4e)-1-hydroxy-7-methylocta-2,4-dien-1-ylidene]amino}phenyl)propanoic acid
(3s,3as,6s,7as)-3a-[6-(hydroxymethyl)-2h-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-3,6,7,7a-tetrahydro-2h-indol-3-ol
3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4,6,8-trimethoxy-1-methylquinolin-2-one
(1s,13r,14r,15s,16s)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,11-tetraene-13,15-diol
8,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-5,7,12-triol
(1r,4z,7s,17s)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
C17H23N3O4 (333.16884780000004)
2-[(4,8-dimethylquinolin-6-yl)oxy]-3,5-dimethoxyoxan-4-ol
(1r,4z,7r,17s)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
6-methoxy-3-{6-methoxy-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-7-yl}-1-methyl-3a,6,7,7a-tetrahydro-2h-indol-3-ol
(3r,3as,6s,7as)-3a-[6-(hydroxymethyl)-2h-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-3,6,7,7a-tetrahydro-2h-indol-3-ol
(2s)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl acetate
3-(2-hydroxy-3-methylbut-3-en-1-yl)-4,6,8-trimethoxy-1-methylquinolin-2-one
(5r,6r,7s,7as)-7-[6-(hydroxymethyl)-2h-1,3-benzodioxol-5-yl]-6-methoxy-1-methyl-2,3,5,6,7,7a-hexahydroindol-5-ol
(3s,11ar,11br)-5-[(3s)-3-amino-3-carboxypropyl]-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
C17H23N3O4 (333.16884780000004)