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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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
    nitrofurantoin DailyMed
    ZINC000003875368 ZINC
    PD001838 ProbesDrugs
    67-20-9 ACToR
    6604200 PubChem
    nitrofurantoin Atlas
    71415 ChEBI
    927AH8112L FDA SRS
    14749496 PubChem: Thomson Pharma
    SCHEMBL29470 SureChEMBL
    886566 eMolecules
    57045 BindingDB
    1949 DrugCentral
    DB00698 DrugBank
    HY-A0090 MedChemExpress
    U6Z PDBe
    FURADANTIN clinicaltrials
    MACRODANTIN clinicaltrials
    NITROFURANTOIN SODIUM clinicaltrials
    NITROFURANTOIN clinicaltrials
    NITROFURANTOIN, MACROCRYSTALLINE clinicaltrials
    NITROFURANTOIN, MACROCRYSTALS rxnorm
    LABJON CCDC
    10917 Guide to Pharmacology
    NITROFURANTOIN DailyMed
    MACRODANTIN rxnorm
    MACROBID rxnorm
    NITROFURANTOIN rxnorm
    FURADANTIN rxnorm
    CHEMBL572 ChEMBL
    C07268 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.