Dataset

1,4-DIMETHYLNAPHTHALENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012340 contains the MS mass spectrum of 1,4-DIMETHYLNAPHTHALENE with the InChIkey APQSQLNWAIULLK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
SMILES Cc(c1)c(c2)c(ccc2)c(C)c1
InChI Key APQSQLNWAIULLK-UHFFFAOYSA-N
Molecular Formula C12H12
Exact Mass 156.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012340
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,4-dimethylnaphthalene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    48609 ChEBI
    CHEMBL362076 ChEMBL
    CB7238365 ChemicalBook
    J116.786C Nikkaji
    DTXSID8035423 EPA CompTox Dashboard
    ZINC000001690839 ZINC
    50167996 BindingDB
    HMDB0244215 Human Metabolome Database
    11304 PubChem
    15146946 PubChem: Thomson Pharma
    571-58-4 ACToR
    502858 eMolecules
    175048 Brenda
    SCHEMBL161370 SureChEMBL
    BQH3S1I0SO FDA SRS
    20096860 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.