Dataset

4-Nitro-1,2-phenylenediamine; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01108352 contains the MS2 mass spectrum of 4-Nitro-1,2-phenylenediamine with the InChIkey RAUWPNXIALNKQM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
SMILES NC1=C(N)C=C(C=C1)[N+]([O-])=O
InChI Key RAUWPNXIALNKQM-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
Exact Mass 153.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01108352
Version
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 4-nitrobenzene-1,2-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:67116 chebi
    CHEMBL433721 chembl
    29353815 surechembl
    78293 surechembl
    5111791 pubchem
    5A9AX7Y0TT fdasrs
    RIRMAH CCDC
    HMDB0246528 hmdb
    Molport-001-641-008 molport
    The data in this table is sourced from UniChem at EBI.