Dataset

Vincamine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00348 contains the MS2 mass spectrum of Vincamine with the InChIkey RXPRRQLKFXBCSJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3
SMILES CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
InChI Key RXPRRQLKFXBCSJ-UHFFFAOYSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00348
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    107202 ChEBI
    DTXSID90274475 EPA CompTox Dashboard
    HMDB0253707 Human Metabolome Database
    CB23160536 ChemicalBook
    CHEMBL1604925 ChEMBL
    SCHEMBL3767 SureChEMBL
    10008930 NMRShiftDB
    MCULE-7837687853 Mcule
    MTBLC107202 Metabolights
    1989495 eMolecules
    1972820 eMolecules
    18374-18-0 ACToR
    PD055558 ProbesDrugs
    6835-99-0 ACToR
    5668 PubChem
    LSM-18556 LINCS
    The data in this table is sourced from UniChem at EBI.