Dataset

2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA262525AF82PH contains the MS2 mass spectrum of 2-Nitroaniline with the InChIkey DPJCXCZTLWNFOH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
SMILES NC1=C(C=CC=C1)[N+]([O-])=O
InChI Key DPJCXCZTLWNFOH-UHFFFAOYSA-N
Molecular Formula C6H6N2O2
Exact Mass 138.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA262525AF82PH
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Maintainer
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MetadataPublished 2023-08-13
Related Molecule
  • 2-nitroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL274009 chembl
    29396517 surechembl
    6000 surechembl
    6946 pubchem
    2519U0541L fdasrs
    ONITAN CCDC
    100314 brenda
    104622 brenda
    32362 brenda
    9504 brenda
    51371042 bindingdb
    Molport-000-157-719 molport
    The data in this table is sourced from UniChem at EBI.