Dataset

Mitragynine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305089 contains the MS2 mass spectrum of Mitragynine with the InChIkey LELBFTMXCIIKKX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3
SMILES CCC1CN2CCC3=C(NC4=C3C(OC)=CC=C4)C2CC1C(=COC)C(=O)OC
InChI Key LELBFTMXCIIKKX-UHFFFAOYSA-N
Molecular Formula C23H30N2O4
Exact Mass 398.503 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-PR305089
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MetadataPublished 2019-03-28
Related Molecule
  • methyl 2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    611919 PubChem
    HMDB0243644 Human Metabolome Database
    ZZZPOK CCDC
    PD074855 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.