Dataset

4-Chloro-2-methylphenol; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00030754 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-EQ00030754
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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
    14769414 PubChem: Thomson Pharma
    SCHEMBL171059 SureChEMBL
    1570-64-5 ACToR
    491286 eMolecules
    1800 Rhea
    9052 Brenda
    172768 Brenda
    CB5690334 ChemicalBook
    MCULE-5116771906 Mcule
    20033026 NMRShiftDB
    297V63W9RI FDA SRS
    14855 PubChem
    J33.994F Nikkaji
    ZINC000000404328 ZINC
    DTXSID5022510 EPA CompTox Dashboard
    50410499 BindingDB
    HMDB0246384 Human Metabolome Database
    MZG PDBe
    C03359 KEGG Ligand
    CHEMBL194121 ChEMBL
    1800 ChEBI
    The data in this table is sourced from UniChem at EBI.