Dataset

PHENOL (2,3,4,5,6-D5); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008782 contains the MS mass spectrum of PHENOL (2,3,4,5,6-D5) with the InChIkey ISWSIDIOOBJBQZ-RALIUCGRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D
SMILES [2H]c(c([2H])1)c([2H])c([2H])c(O)c([2H])1
InChI Key ISWSIDIOOBJBQZ-RALIUCGRSA-N
Molecular Formula C6H6O
Exact Mass 94.042 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-JP008782
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2,3,4,5,6-pentadeuteriophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB0433071 ChemicalBook
    SCHEMBL1331249 SureChEMBL
    J261.027B Nikkaji
    12205419 PubChem
    The data in this table is sourced from UniChem at EBI.