Dataset

Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid sodium salt, Hydroxybenzenecarboxylic acid, 4-hydroxybenzoic acid, 4-Hydroxybenzoic acid sodium salt; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT203210 contains the MS2 mass spectrum of Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid sodium salt, Hydroxybenzenecarboxylic acid, 4-hydroxybenzoic acid, 4-Hydroxybenzoic acid sodium salt with the InChIkey FJKROLUGYXJWQN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
SMILES C1=CC(=CC=C1C(=O)O)O
InChI Key FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.122 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT203210
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Author
Maintainer
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MetadataPublished 2008-07-28
Related Molecule
  • 4-hydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4-HYDROXYBENZOIC ACID rxnorm
    HY-Y0264 MedChemExpress
    26194 BindingDB
    ZINC000000332752 ZINC
    J43.201F Nikkaji
    JOZZIH CCDC
    DTXSID3026647 EPA CompTox Dashboard
    CHEMBL441343 ChEMBL
    DB04242 DrugBank
    30763 ChEBI
    PHB PDBe
    12015603 PubChem: Drugs of the Future
    C00156 KEGG Ligand
    3702506 PubChem
    PD006469 ProbesDrugs
    14891552 PubChem: Thomson Pharma
    99-96-7 ACToR
    JG8Z55Y12H FDA SRS
    490868 eMolecules
    HMDB0000500 Human Metabolome Database
    43427 Brenda
    1858 Brenda
    MTBLC30763 Metabolights
    3660 Brenda
    365 Brenda
    3394 Brenda
    CB1412080 ChemicalBook
    MCULE-1367764897 Mcule
    135 PubChem
    10024827 NMRShiftDB
    SCHEMBL4110 SureChEMBL
    The data in this table is sourced from UniChem at EBI.