Dataset

Metronidazole

This MassBank record with Accession MSBNK-BAFG-CSL2311109032 contains the MS2 mass spectrum of Metronidazole with the InChIkey VAOCPAMSLUNLGC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
Exact Mass 171.064 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311109032
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T11:30:22.406052
MetadataModified 2024-01-11T11:30:22.579782
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables