Dataset

2-Nitroaniline; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA262501AD6CPH 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-WANA262501AD6CPH
Version
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Maintainer
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MetadataPublished 2023-08-12
Related Molecule
  • 2-nitroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9504 Brenda
    ZINC000003860642 ZINC
    32362 Brenda
    CB6287018 ChemicalBook
    104622 Brenda
    MCULE-6119865345 Mcule
    10008616 NMRShiftDB
    2519U0541L FDA SRS
    15461961 PubChem: Thomson Pharma
    88-74-4 ACToR
    SCHEMBL6000 SureChEMBL
    508458 eMolecules
    DTXSID1025726 EPA CompTox Dashboard
    ONITAN CCDC
    6946 PubChem
    CHEMBL274009 ChEMBL
    The data in this table is sourced from UniChem at EBI.