Dataset

Seneciphylline N-oxide; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA002761 contains the MS2 mass spectrum of Seneciphylline N-oxide with the InChIkey COHUFMBRBUPZPA-HPHFTHPTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-,19?/m1/s1
SMILES C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O
InChI Key COHUFMBRBUPZPA-HPHFTHPTSA-N
Molecular Formula C18H23NO6
Exact Mass 349.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002761
Version
Author
Maintainer
Language
MetadataPublished 2020-02-21
Related Molecule
  • (1R,4E,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:136427 chebi
    31127874 surechembl
    6442619 pubchem
    The data in this table is sourced from UniChem at EBI.