Dataset

Laxapur; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00294 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-FIO00294
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Maintainer
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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
    DHANQU CCDC
    J2.905J Nikkaji
    3125 DrugCentral
    DTXSID9020328 EPA CompTox Dashboard
    HY-B0923 MedChemExpress
    DANTHRON rxnorm
    11316 BindingDB
    220864 Brenda
    3682 ChEBI
    CHZ PDBe
    C10312 KEGG Ligand
    DB04816 DrugBank
    CHEMBL53418 ChEMBL
    LSM-2208 LINCS
    SCHEMBL83688 SureChEMBL
    117-10-2 ACToR
    15121902 PubChem: Thomson Pharma
    Z4XE6IBF3V FDA SRS
    2950 PubChem
    PD002124 ProbesDrugs
    502495 eMolecules
    ZINC000003860369 ZINC
    CB4173988 ChemicalBook
    HMDB0029752 Human Metabolome Database
    51583 Brenda
    28096 Brenda
    7508 Brenda
    42878 Brenda
    27107 Brenda
    MTBLC3682 Metabolights
    MCULE-5800615690 Mcule
    30100963 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.