Dataset

4-Chloro-2-methylphenol; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00030751 contains the MS2 mass spectrum of 4-Chloro-2-methylphenol with the InChIkey RHPUJHQBPORFGV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
SMILES CC1=C(C=CC(=C1)Cl)O
InChI Key RHPUJHQBPORFGV-UHFFFAOYSA-N
Molecular Formula C7H7ClO
Exact Mass 142.019 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00030751
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • 4-chloro-2-methylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:1800 chebi
    MZG rcsb_pdb
    CHEMBL194121 chembl
    171059 surechembl
    14855 pubchem
    297V63W9RI fdasrs
    172768 brenda
    172925 brenda
    9052 brenda
    MZG pdbe
    HMDB0246384 hmdb
    Molport-001-760-745 molport
    50410499 bindingdb
    The data in this table is sourced from UniChem at EBI.