Dataset

4-tert-Butylphenol; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU504909 contains the MS2 mass spectrum of 4-tert-Butylphenol with the InChIkey QHPQWRBYOIRBIT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
SMILES CC(C)(C)C1=CC=C(C=C1)O
InChI Key QHPQWRBYOIRBIT-UHFFFAOYSA-N
Molecular Formula C10H14O
Exact Mass 150.105 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-AU504909
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Author
Maintainer
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MetadataPublished 2021-04-20
Related Molecule
  • 4-tert-butylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34444 chebi
    CHEMBL16217 chembl
    19157 surechembl
    7393 pubchem
    O81VMW36CV fdasrs
    PD014690 probes_and_drugs
    INEFOX CCDC
    32552 brenda
    37877 brenda
    HMDB0032063 hmdb
    DTXSID1020221 comptox
    Molport-001-789-043 molport
    50410495 bindingdb
    The data in this table is sourced from UniChem at EBI.