Dataset

Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00559 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-FIO00559
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
    PD001450 ProbesDrugs
    MTBLC6377 Metabolights
    15069338 PubChem: Thomson Pharma
    SCHEMBL157255 SureChEMBL
    84-79-7 ACToR
    B221938VB6 FDA SRS
    481692 eMolecules
    ZINC000003873071 ZINC
    32038 Brenda
    7228 Brenda
    162846 Brenda
    CB1339480 ChemicalBook
    39172 Brenda
    30100947 NMRShiftDB
    HY-N6961 MedChemExpress
    6377 ChEBI
    JUBFOB CCDC
    DTXSID6049430 EPA CompTox Dashboard
    J4.900J Nikkaji
    MCULE-9211486718 Mcule
    CHEMBL15193 ChEMBL
    C10366 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.