Dataset

Metamitron-desamino

This MassBank record with Accession MSBNK-Athens_Univ-AU206404 contains the MS2 mass spectrum of Metamitron-desamino with the InChIkey OUSYWCQYMPDAEO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
SMILES CC1=NC(=O)C(=NN1)C1=CC=CC=C1
InChI Key OUSYWCQYMPDAEO-UHFFFAOYSA-N
Molecular Formula C10H9N3O
Exact Mass 187.075 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-AU206404
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:54:54.446606
MetadataModified 2025-02-08T18:59:57.313776
MetadataPublished 2015-12-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
36993-94-9 ACToR
SCHEMBL10436160 SureChEMBL
83447 ChEBI
5678111 eMolecules
32193528 eMolecules
J861.587J Nikkaji
ZINC000003881048 ZINC
DTXSID30190483 EPA CompTox Dashboard
MTBLC83447 Metabolights
135413636 PubChem
MCULE-5647197839 Mcule
The data in this table is sourced from UniChem at EBI.