Dataset

2,6-DIMETHOXYPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008440 contains the MS mass spectrum of 2,6-DIMETHOXYPHENOL with the InChIkey KLIDCXVFHGNTTM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
SMILES COc(c1)c(O)c(OC)cc1
InChI Key KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula C8H10O3
Exact Mass 154.063 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-JP008440
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2,6-dimethoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C10787 KEGG Ligand
    CHEMBL109652 ChEMBL
    955 ChEBI
    CB0547192 ChemicalBook
    DTXSID2052607 EPA CompTox Dashboard
    50409535 BindingDB
    J27.321J Nikkaji
    ZINC000000154666 ZINC
    3DM PDBe
    7041 PubChem
    60019624 NMRShiftDB
    PD150494 ProbesDrugs
    220987 Brenda
    14769473 PubChem: Thomson Pharma
    91-10-1 ACToR
    SCHEMBL156388 SureChEMBL
    4UQT464H8K FDA SRS
    503611 eMolecules
    MCULE-7938660756 Mcule
    95558 Brenda
    306 Brenda
    17914 Brenda
    HMDB0034158 Human Metabolome Database
    CB0112026 ChemicalBook
    MTBLC955 Metabolights
    175154 Brenda
    The data in this table is sourced from UniChem at EBI.