Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU508009 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-AU508009
Version
Author
Maintainer
Language
MetadataPublished 2021-04-20
Related Molecule
  • 4-methoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL544 ChEMBL
    4221 DrugCentral
    ZINC000000001684 ZINC
    MEQUINOL rxnorm
    HY-30270 MedChemExpress
    MOPHLC CCDC
    44239 Brenda
    69441 ChEBI
    4KS PDBe
    DTXSID4020828 EPA CompTox Dashboard
    J2.031A Nikkaji
    6827 Guide to Pharmacology
    149291 Brenda
    9015 PubChem
    15321300 PubChem: Thomson Pharma
    PD002118 ProbesDrugs
    150-76-5 ACToR
    SCHEMBL21009 SureChEMBL
    mequinol Selleck
    6HT8U7K3AM FDA SRS
    518971 eMolecules
    CB7853133 ChemicalBook
    CB1268120 ChemicalBook
    HMDB0029696 Human Metabolome Database
    DB09516 DrugBank
    15906 Brenda
    21790 Brenda
    11207 Brenda
    25434 Brenda
    7486 Brenda
    108408 Brenda
    49544 Brenda
    2538 Brenda
    MTBLC69441 Metabolights
    10009217 NMRShiftDB
    MCULE-7494596350 Mcule
    The data in this table is sourced from UniChem at EBI.