Dataset

4-Hydroxybenzaldehyde; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01149709 contains the MS2 mass spectrum of 4-Hydroxybenzaldehyde with the InChIkey RGHHSNMVTDWUBI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
SMILES C1=CC(=CC=C1C=O)O
InChI Key RGHHSNMVTDWUBI-UHFFFAOYSA-N
Molecular Formula C7H6O2
Exact Mass 122.037 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-EQ01149709
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MetadataPublished 2024-05-08
Related Molecule
  • 4-hydroxybenzaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    126 PubChem
    14867231 PubChem: Thomson Pharma
    SCHEMBL37193 SureChEMBL
    123-08-0 ACToR
    65581-83-1 ACToR
    O1738X3Y38 FDA SRS
    PD006812 ProbesDrugs
    481831 eMolecules
    10005739 NMRShiftDB
    MCULE-3788300475 Mcule
    CB6446138 ChemicalBook
    17597 Rhea
    HMDB0011718 Human Metabolome Database
    108410 Brenda
    3659 Brenda
    34543 Brenda
    711 Brenda
    MTBLC17597 Metabolights
    CHEMBL14193 ChEMBL
    HBA PDBe
    17597 ChEBI
    C00633 KEGG Ligand
    DB03560 DrugBank
    J43.312H Nikkaji
    50177411 BindingDB
    PHBALD CCDC
    ZINC000000156709 ZINC
    DTXSID8059552 EPA CompTox Dashboard
    233478 Brenda
    HY-Y0313 MedChemExpress
    The data in this table is sourced from UniChem at EBI.