Dataset

Sempervirine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308816 contains the MS2 mass spectrum of Sempervirine with the InChIkey UQVUEULZDJRMJR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2
SMILES C1CCC2=C[N+]3=C(C=C2C1)C1=C(C=C3)C2=C([N-]1)C=CC=C2
InChI Key UQVUEULZDJRMJR-UHFFFAOYSA-N
Molecular Formula C19H16N2
Exact Mass 272.351 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-PR308816
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 16,17,18,19-tetrahydroyohimban
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:9104 chebi
    29453818 surechembl
    3716210 surechembl
    168919 pubchem
    F8O9288136 fdasrs
    147520 brenda
    Molport-003-873-298 molport
    The data in this table is sourced from UniChem at EBI.