Dataset

11,12-Methylenedioxykopsinaline; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300106 contains the MS2 mass spectrum of 11,12-Methylenedioxykopsinaline with the InChIkey JVIKUDVTJCANPX-NBYDKTAJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H26N2O5/c1-27-18(25)21(26)11-19-5-2-9-24-10-8-20(17(19)24)13-3-4-14-16(29-12-28-14)15(13)23-22(20,21)7-6-19/h3-4,17,23,26H,2,5-12H2,1H3/t17-,19+,20+,21+,22-/m0/s1
SMILES COC(=O)[C@]1(O)C[C@]23CCCN4CC[C@]5([C@H]24)C2=C(N[C@]15CC3)C1=C(OCO1)C=C2
InChI Key JVIKUDVTJCANPX-NBYDKTAJSA-N
Molecular Formula C22H26N2O5
Exact Mass 398.459 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-PR300106
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • methyl (1S,12R,19R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000238739287 ZINC
    190971 ChEBI
    137832348 PubChem
    The data in this table is sourced from UniChem at EBI.