Dataset

P-CHLOROBENZOIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005274 contains the MS mass spectrum of P-CHLOROBENZOIC ACID with the InChIkey XRHGYUZYPHTUJZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
SMILES OC(=O)c(c1)ccc(Cl)c1
InChI Key XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
Exact Mass 155.998 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005274
Version
Author
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MetadataPublished 2016-01-19
Related Molecule
  • 4-chlorobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20036251 NMRShiftDB
    MCULE-2882010588 Mcule
    CB5482423 ChemicalBook
    1433 Brenda
    94590 Brenda
    104979 Brenda
    9053 Brenda
    MTBLC30747 Metabolights
    6318 PubChem
    PD007288 ProbesDrugs
    15170967 PubChem: Thomson Pharma
    SCHEMBL28384 SureChEMBL
    74-11-3 ACToR
    IC7888DF4L FDA SRS
    480990 eMolecules
    DB03728 DrugBank
    C02370 KEGG Ligand
    CHEMBL618 ChEMBL
    30747 ChEBI
    174 PDBe
    CLBZAP CCDC
    HMDB0246393 Human Metabolome Database
    J5.259K Nikkaji
    ZINC000000156865 ZINC
    DTXSID9024772 EPA CompTox Dashboard
    50405318 BindingDB
    The data in this table is sourced from UniChem at EBI.