Dataset

Seneciphylline; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00801 contains the MS2 mass spectrum of Seneciphylline with the InChIkey FCEVNJIUIMLVML-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3
SMILES CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O
InChI Key FCEVNJIUIMLVML-UHFFFAOYSA-N
Molecular Formula C18H23NO5
Exact Mass 333.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00801
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[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
    521227 PubChem
    PD053435 ProbesDrugs
    181715 ChEBI
    HMDB0258231 Human Metabolome Database
    MCULE-4830898327 Mcule
    The data in this table is sourced from UniChem at EBI.