Dataset

Nitrofurantoin

This MassBank record with Accession MSBNK-Eawag-EQ01072703 contains the MS2 mass spectrum of Nitrofurantoin with the InChIkey NXFQHRVNIOXGAQ-UHFFFAOYSA-N.

Chemical Info

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-EQ01072703
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:13.178195
MetadataModified 2025-02-09T09:55:13.342864
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3169724629 Mcule
2494 Brenda
ZINC000253533390 ZINC
4509 PubChem
PD003068 ProbesDrugs
SCHEMBL29472 SureChEMBL
LSM-6522 LINCS
CHEMBL1605821 ChEMBL
SAM002554913 NIH Clinical Collection
LABJON CCDC
DTXSID7020972 EPA CompTox Dashboard
95222 ChEBI
The data in this table is sourced from UniChem at EBI.