Dataset

1,4-Dimethoxybenzene; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094508 contains the MS2 mass spectrum of 1,4-Dimethoxybenzene with the InChIkey OHBQPCCCRFSCAX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
SMILES COc1ccc(OC)cc1
InChI Key OHBQPCCCRFSCAX-UHFFFAOYSA-N
Molecular Formula C8H10O2
Exact Mass 138.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094508
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 1,4-dimethoxybenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    150-78-7 ACToR
    15170743 PubChem: Thomson Pharma
    SCHEMBL8489 SureChEMBL
    24WC6T6X0G FDA SRS
    179261 ChEBI
    PD158325 ProbesDrugs
    518907 eMolecules
    ZINC000000388747 ZINC
    CB7253689 ChemicalBook
    35513 Brenda
    HMDB0029671 Human Metabolome Database
    8428 Brenda
    10009216 NMRShiftDB
    9016 PubChem
    MCULE-5232933383 Mcule
    HY-W015780 MedChemExpress
    DTXSID0022014 EPA CompTox Dashboard
    36302 BindingDB
    J5.858K Nikkaji
    MOXBEN CCDC
    CHEMBL1668604 ChEMBL
    The data in this table is sourced from UniChem at EBI.