Dataset

Nitrofurantoin; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01072753 contains the MS2 mass spectrum of Nitrofurantoin with the InChIkey NXFQHRVNIOXGAQ-UHFFFAOYSA-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)
SMILES [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O
InChI Key NXFQHRVNIOXGAQ-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01072753
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MetadataPublished 2024-06-14
Related Molecule
  • 1-[(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
    CHEBI:95222 chebi
    CHEMBL1605821 chembl
    29472 surechembl
    4509 pubchem
    10917 gtopdb
    PD003068 probes_and_drugs
    LABJON CCDC
    2494 brenda
    Molport-035-394-835 molport
    The data in this table is sourced from UniChem at EBI.