Dataset

4-Methoxyphenol; GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU508005 contains the MS2 mass spectrum of 4-Methoxyphenol with the InChIkey NWVVVBRKAWDGAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
SMILES COC1=CC=C(C=C1)O
InChI Key NWVVVBRKAWDGAB-UHFFFAOYSA-N
Molecular Formula C7H8O2
Exact Mass 124.052 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-AU508005
Version
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Maintainer
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MetadataPublished 2021-04-20
Related Molecule
  • 4-methoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09516 drugbank
    CHEBI:69441 chebi
    4KS rcsb_pdb
    CHEMBL544 chembl
    21009 surechembl
    9015 pubchem
    6HT8U7K3AM fdasrs
    6827 gtopdb
    PD002118 probes_and_drugs
    MOPHLC CCDC
    108408 brenda
    11207 brenda
    149291 brenda
    15906 brenda
    21790 brenda
    2538 brenda
    25434 brenda
    44239 brenda
    49544 brenda
    7486 brenda
    HMDB0029696 hmdb
    Molport-000-145-974 molport
    4221 drugcentral
    The data in this table is sourced from UniChem at EBI.