Dataset

Convolvamine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301549 contains the MS2 mass spectrum of Convolvamine with the InChIkey AEFPCFUCFQBXDQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3
SMILES COC1=C(OC)C=C(C=C1)C(=O)OC1CC2CCC(C1)N2C
InChI Key AEFPCFUCFQBXDQ-UHFFFAOYSA-N
Molecular Formula C17H23NO4
Exact Mass 305.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301549
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    420422 PubChem
    500-56-1 ACToR
    70018414 NMRShiftDB
    PD053421 ProbesDrugs
    3868 ChEBI
    DTXSID50329455 EPA CompTox Dashboard
    C10854 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.