Dataset

Vasicine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310548 contains the MS2 mass spectrum of Vasicine with the InChIkey YIICVSCAKJMMDJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2
SMILES OC1CCN2CC3=C(C=CC=C3)N=C12
InChI Key YIICVSCAKJMMDJ-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.230 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-PR310548
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72610 PubChem
    PD076967 ProbesDrugs
    15195289 PubChem: Thomson Pharma
    6159-55-3 ACToR
    SCHEMBL1923629 SureChEMBL
    181180 ChEBI
    4368780 eMolecules
    J3.582.969E Nikkaji
    MCULE-3088392684 Mcule
    CHEMBL1186527 ChEMBL
    0VFV53RMC2 FDA SRS
    TATBEX CCDC
    247299 Brenda
    HMDB0256199 Human Metabolome Database
    HY-N7031 MedChemExpress
    CB8967589 ChemicalBook
    The data in this table is sourced from UniChem at EBI.