Dataset

Vincamone; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002429 contains the MS mass spectrum of Vincamone with the InChIkey WYJAPUKIYAZSEM-MOPGFXCFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
SMILES CCC(C5)(C3)C([H])(N(CC5)4)c(c(CC4)1)n(C(=O)3)c(c2)c(ccc2)1
InChI Key WYJAPUKIYAZSEM-MOPGFXCFSA-N
Molecular Formula C19H22N2O
Exact Mass 294.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002429
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1935815 eMolecules
    71203 PubChem
    SCHEMBL456385 SureChEMBL
    14898141 PubChem: Thomson Pharma
    16085526 PubChem: Thomson Pharma
    LSM-2891 LINCS
    4880-88-0 ACToR
    70128880 NMRShiftDB
    PD001342 ProbesDrugs
    G54D0HMY25 FDA SRS
    MTBLC4740 Metabolights
    ZINC000019796061 ZINC
    J12.783C Nikkaji
    345 Guide to Pharmacology
    VINBURNINE rxnorm
    VINCIM CCDC
    64UB2942IE FDA SRS
    HY-B1180 MedChemExpress
    MCULE-3457597200 Mcule
    MCULE-1030644698 Mcule
    4740 ChEBI
    2824 DrugCentral
    DTXSID6045119 EPA CompTox Dashboard
    CB9130995 ChemicalBook
    DB13793 DrugBank
    CHEMBL1892145 ChEMBL
    C09149 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.