Dataset

Aniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002164 contains the MS2 mass spectrum of Aniline with the InChIkey PAYRUJLWNCNPSJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
SMILES Nc(c1)cccc1
InChI Key PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Molecular Formula C6H7N
Exact Mass 93.058 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-Keio_Univ-KO002164
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • aniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06728 drugbank
    CHEBI:17296 chebi
    ANL rcsb_pdb
    CHEMBL538 chembl
    11803 surechembl
    6115 pubchem
    SIR7XX2F1K fdasrs
    PD006367 probes_and_drugs
    BAZGOY CCDC
    20460 brenda
    676 brenda
    ANL pdbe
    HMDB0003012 hmdb
    Molport-000-871-542 molport
    92572 bindingdb
    The data in this table is sourced from UniChem at EBI.