Dataset

Ajmaline; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00530 contains the MS2 mass spectrum of Ajmaline with the InChIkey CJDRUOGAGYHKKD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3
SMILES CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
InChI Key CJDRUOGAGYHKKD-UHFFFAOYSA-N
Molecular Formula C20H26N2O2
Exact Mass 326.199 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-BML00530
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23295973 surechembl
    2073 pubchem
    70691408 pubchem
    PD075931 probes_and_drugs
    HMDB0248601 hmdb
    The data in this table is sourced from UniChem at EBI.