Dataset

2,5-DICHLOROPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000004 contains the MS mass spectrum of 2,5-DICHLOROPHENOL with the InChIkey RANCECPPZPIPNO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
SMILES Oc(c1)c(Cl)ccc(Cl)1
InChI Key RANCECPPZPIPNO-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
Exact Mass 161.964 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-JP000004
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2,5-dichlorophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C06602 KEGG Ligand
    CHEMBL1565192 ChEMBL
    DCLPOL CCDC
    DTXSID7025003 EPA CompTox Dashboard
    J1.634I Nikkaji
    CB8853877 ChemicalBook
    27929 ChEBI
    500591 eMolecules
    14748058 PubChem: Thomson Pharma
    583-78-8 ACToR
    66 PubChem
    SCHEMBL177878 SureChEMBL
    10015987 NMRShiftDB
    MCULE-4265765893 Mcule
    3B11G9AKBA FDA SRS
    9500 Brenda
    MTBLC27929 Metabolights
    HMDB0041800 Human Metabolome Database
    ZINC000000388512 ZINC
    The data in this table is sourced from UniChem at EBI.