Dataset

3,5-DIMETHYLPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003997 contains the MS mass spectrum of 3,5-DIMETHYLPHENOL with the InChIkey TUAMRELNJMMDMT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
SMILES Cc(c1)cc(O)cc(C)1
InChI Key TUAMRELNJMMDMT-UHFFFAOYSA-N
Molecular Formula C8H10O
Exact Mass 122.073 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-JP003997
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3,5-dimethylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7948 PubChem
    ONA760G0WA FDA SRS
    15194426 PubChem: Thomson Pharma
    108-68-9 ACToR
    SCHEMBL28714 SureChEMBL
    481841 eMolecules
    CB0426150 ChemicalBook
    91327 Brenda
    MTBLC38572 Metabolights
    20097186 NMRShiftDB
    MCULE-3110935696 Mcule
    ZINC000001699887 ZINC
    DTXSID1025148 EPA CompTox Dashboard
    ERH PDBe
    HMDB0246064 Human Metabolome Database
    DMPHNL CCDC
    J2.425B Nikkaji
    38572 ChEBI
    CHEMBL191740 ChEMBL
    The data in this table is sourced from UniChem at EBI.