Dataset

Carbadox

This MassBank record with Accession MSBNK-Athens_Univ-AU117501 contains the MS2 mass spectrum of Carbadox with the InChIkey OVGGLBAWFMIPPY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)
SMILES COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
InChI Key OVGGLBAWFMIPPY-UHFFFAOYSA-N
Molecular Formula C11H10N4O4
Exact Mass 262.070 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-Athens_Univ-AU117501
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:09:42.785504
MetadataModified 2025-02-08T18:59:29.208964
MetadataPublished 2015-09-23
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
M2X04R2E2Y FDA SRS
PD067313 ProbesDrugs
ZINC000011678038 ZINC
HMDB0259619 Human Metabolome Database
LSM-5843 LINCS
135403805 PubChem
The data in this table is sourced from UniChem at EBI.