Dataset

2-Nitroaniline; ESI-QTOF; MS2; CE: 40; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000790 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=CC=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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000790
Version
Author
Maintainer
Language
MetadataPublished 2023-05-02
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.