Dataset

2,4-Di-tert-butyl-phenol; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU503609 contains the MS2 mass spectrum of 2,4-Di-tert-butyl-phenol with the InChIkey ICKWICRCANNIBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
SMILES CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
InChI Key ICKWICRCANNIBI-UHFFFAOYSA-N
Molecular Formula C14H22O
Exact Mass 206.167 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU503609
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MetadataPublished 2021-04-20
Related Molecule
  • 2,4-ditert-butylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:89188 chebi
    UGW rcsb_pdb
    CHEMBL29873 chembl
    109921 surechembl
    29364103 surechembl
    7311 pubchem
    FOB94G6HZT fdasrs
    PD158314 probes_and_drugs
    EYOJOR CCDC
    265175 brenda
    HMDB0013816 hmdb
    Molport-000-917-830 molport
    50409544 bindingdb
    The data in this table is sourced from UniChem at EBI.