Exact Mass: 333.1549

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

1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-

C18H24ClN3O (333.1608)

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

Narcissidine

Ipconazole

Pesticide6_Ipconazole Isomer 1*_C18H24ClN3O_2-(4-Chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

C18H24ClN3O (333.1608)

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

(11S,14S)-Cyclo-(L-Trp-L-Phe)

A natural product found in Aspergillus sydowii.

Pefloxacin

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C17H20FN3O3 (333.1489)

Pefloxacin is only found in individuals that have used or taken this drug. It is a synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria. [PubChem]The bactericidal action of pefloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

CH-223191

1-Methyl-N-{2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}-1H-pyrazole-5-carboximidate

C19H19N5O (333.159)

Pentopril

1-(5-ethoxy-2,4-dimethyl-5-oxopentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid

Seneciphylline

4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

1ST14177

(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-

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

(1S,9S,12S,13S)-4,11-DIMETHOXY-17-AZATETRACYCLO(7.5.3.0^(1,10).0^(2,7))HEPTADECA-2(7),3,5,10-TETRAENE-3,12,13-TRIOL

Sinococuline is a natural product found in Cocculus trilobus, Stephania excentrica, and Stephania cephalantha with data available.

Makaluvamine G

Tropatepine

C22H23NS (333.1551)

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

C18H23NO5

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

3,14-Dihydroangustoline

Cyclo(-Phe-Trp)

3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

11-hydroxyerysotine

Ptelefolin

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

11-hydroxygalanthine

Tilivalline

A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted by an oxo group at position 5, by a hydroxy group at position 9, and by a 1H-indol-3-yl group at position 11S. It is a natural product discovered in Klebsiella oxytoca which is the causative toxin in antibiotic associated hemorrhagic colitis. It exhibits a microtubule-stabilizing activity that leads to mitotic arrest in the host cells.

Kikumycin B

C14H19N7O3 (333.1549)

Convolicine

(8-Acetyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate

Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids

Tazettine, 1,2-dihydro

Seneciphylline

Senenciphylline

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].

Incartine

(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

(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

Thr Val Asp

Ser Val Glu

Glu Val Ser

Val Ser Glu

Asp Ile Ser

Asp Ser Ile

Val Asp Thr

Ser Ile Asp

Asp Val Thr

Thr Asp Val

Val Glu Ser

Asp Thr Val

Glu Ser Val

Ser Asp Ile

Val Thr Asp

Ile Ser Asp

CONVOLICINE

NCGC00160255-01!CONVOLICINE

3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

NCGC00347762-02!3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

Pefloxacin

C17H20FN3O3 (333.1489)

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

Seneciphyllin

Annotation level-1

Tebufenpyrad

Pesticide4_Tebufenpyrad_C18H24ClN3O_1H-Pyrazole-5-carboxamide, 4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-

C18H24ClN3O (333.1608)

Asp Leu Ser

Leu Asp Ser

Leu Ser Asp

Asp Ser Leu

Ser Asp Leu

Ser Glu Val

Ile Asp Ser

Ser Leu Asp

Pefloxacine

C17H20FN3O3 (333.1489)

Quinoline alkaloid

Pentopril

2-(3-indolylmethyl)-l-tryptophan

6,7-Diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

C19H24ClNO2 (333.1495)

[6-(2-methylbutan-2-yl)pyridin-2-yl]-diphenylphosphane

C22H24NP (333.1646)

benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate