Dataset

Sempervirine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300045 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=CC3=C4N=C5C=CC=CC5=C4C=CN3C=C2C1
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-PR300045
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
    168919 PubChem
    14750604 PubChem: Thomson Pharma
    SCHEMBL3716210 SureChEMBL
    16048072 PubChem: Thomson Pharma
    549-92-8 ACToR
    6882-99-1 ACToR
    60065865 NMRShiftDB
    F8O9288136 FDA SRS
    J1.257.758C Nikkaji
    HY-N7507 MedChemExpress
    9104 ChEBI
    ZINC000001583788 ZINC
    C09240 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.