Dataset

7-Hydroxymitragynine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301481 contains the MS2 mass spectrum of 7-Hydroxymitragynine with the InChIkey RYENLSMHLCNXJT-ZHOKILCHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15-,18-,23-/m0/s1
SMILES CC[C@H]1CN2CC[C@@]3(O)C(=NC4=C3C(OC)=CC=C4)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
InChI Key RYENLSMHLCNXJT-ZHOKILCHSA-N
Molecular Formula C23H30N2O5
Exact Mass 414.502 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-PR301481
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • methyl (E)-2-[(2S,3R,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[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
    71749158 PubChem
    ZINC000077300704 ZINC
    SCHEMBL22317180 SureChEMBL
    The data in this table is sourced from UniChem at EBI.