Dataset

4-NITROBENZYL BROMIDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011659 contains the MS mass spectrum of 4-NITROBENZYL BROMIDE with the InChIkey VOLRSQPSJGXRNJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
SMILES [O-1][N+1](=O)c(c1)ccc(c1)CBr
InChI Key VOLRSQPSJGXRNJ-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
Exact Mass 214.958 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-JP011659
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(bromomethyl)-4-nitrobenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10023348 NMRShiftDB
    MCULE-5318696734 Mcule
    SCHEMBL439 SureChEMBL
    CB5485712 ChemicalBook
    QCHRSPCHUE FDA SRS
    66011 PubChem
    15121315 PubChem: Thomson Pharma
    100-11-8 ACToR
    529782 eMolecules
    CHEMBL174047 ChEMBL
    62822 ChEBI
    DTXSID7049392 EPA CompTox Dashboard
    WIQDUV CCDC
    ZINC000000164454 ZINC
    The data in this table is sourced from UniChem at EBI.