Dataset

Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00558 contains the MS2 mass spectrum of Lapachol with the InChIkey CIEYTVIYYGTCCI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
SMILES CC(C)=CCc(c(O)1)c(=O)c(c2)c(ccc2)c(=O)1
InChI Key CIEYTVIYYGTCCI-UHFFFAOYSA-N
Molecular Formula C15H14O3
Exact Mass 242.094 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-Fiocruz-FIO00558
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol4467(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6377 chebi
    A1BIJ rcsb_pdb
    CHEMBL15193 chembl
    157255 surechembl
    31492698 surechembl
    B221938VB6 fdasrs
    PD001450 probes_and_drugs
    JUBFOB CCDC
    162846 brenda
    32038 brenda
    39172 brenda
    7228 brenda
    Molport-002-511-406 molport
    The data in this table is sourced from UniChem at EBI.