Dataset

Ajmaline; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA02193 contains the MS2 mass spectrum of Ajmaline with the InChIkey CJDRUOGAGYHKKD-PSOGFBMNSA-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/t10?,11-,14?,15-,16?,17?,18-,19+,20?/m0/s1
SMILES CCC1[C@@H]2CC3C4N(C)c5ccccc5C45C[C@@H](C2[C@@H]5O)N3[C@@H]1O
InChI Key CJDRUOGAGYHKKD-PSOGFBMNSA-N
Molecular Formula C20H26N2O2
Exact Mass 326.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA02193
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MetadataPublished 2018-04-04
Related Molecule
  • (12R,14R,16S,18S)-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
    No additional information available for this Dataset.