Dataset

PARA-BROMOTOLUENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004692 contains the MS mass spectrum of PARA-BROMOTOLUENE with the InChIkey ZBTMRBYMKUEVEU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
SMILES Cc(c1)ccc(Br)c1
InChI Key ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Molecular Formula C7H7Br
Exact Mass 169.973 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-JP004692
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-bromo-4-methylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1377077 ChEMBL
    ZINC000001693579 ZINC
    DIBFAZ CCDC
    DTXSID7024661 EPA CompTox Dashboard
    J47.007D Nikkaji
    CB6731117 ChemicalBook
    MCULE-3947714986 Mcule
    20027711 NMRShiftDB
    9E349GQ7EU FDA SRS
    486412 eMolecules
    C5O PDBe
    106-38-7 ACToR
    7805 PubChem
    15171182 PubChem: Thomson Pharma
    SCHEMBL808 SureChEMBL
    The data in this table is sourced from UniChem at EBI.