Dataset

Nitrofurantoin; LC-ESI-QTOF; MS2; CE: Ramp 19.4-29.1 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU236106 contains the MS2 mass spectrum of Nitrofurantoin with the InChIkey NXFQHRVNIOXGAQ-YCRREMRBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
SMILES [O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O
InChI Key NXFQHRVNIOXGAQ-YCRREMRBSA-N
Molecular Formula C8H6N4O5
Exact Mass 238.034 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-Athens_Univ-AU236106
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00698 drugbank
    CHEBI:71415 chebi
    U6Z rcsb_pdb
    CHEMBL572 chembl
    26698906 surechembl
    29470 surechembl
    6604200 pubchem
    927AH8112L fdasrs
    PD001838 probes_and_drugs
    LABJON CCDC
    U6Z pdbe
    Molport-001-018-217 molport
    Molport-039-344-648 molport
    1949 drugcentral
    57045 bindingdb
    The data in this table is sourced from UniChem at EBI.