Dataset

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

This MassBank record with Accession MSBNK-Fiocruz-FIO00293 contains the MS2 mass spectrum of Laxapur with the InChIkey QBPFLULOKWLNNW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
SMILES Oc(c3)c(c(=O)1)c(cc3)c(=O)c(c2)c(c(O)cc2)1
InChI Key QBPFLULOKWLNNW-UHFFFAOYSA-N
Molecular Formula C14H8O4
Exact Mass 240.042 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-FIO00293
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MetadataPublished 2016-01-19
Related Molecule
  • 1,8-dihydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04816 drugbank
    CHEBI:3682 chebi
    CHZ rcsb_pdb
    CHEMBL53418 chembl
    29356886 surechembl
    30544826 surechembl
    83688 surechembl
    2950 pubchem
    CHZ - Ideal conformer pdbe
    PD002124 probes_and_drugs
    DHANQU CCDC
    220864 brenda
    27107 brenda
    28096 brenda
    42878 brenda
    51583 brenda
    7508 brenda
    Z4XE6IBF3V fdasrs
    HMDB0029752 hmdb
    Molport-000-564-798 molport
    3125 drugcentral
    11316 bindingdb
    The data in this table is sourced from UniChem at EBI.