Dataset

Metamitron

This MassBank record with Accession MSBNK-Athens_Univ-AU353803 contains the MS2 mass spectrum of Metamitron with the InChIkey VHCNQEUWZYOAEV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
SMILES CC1=NN=C(C(=O)N1N)C1=CC=CC=C1
InChI Key VHCNQEUWZYOAEV-UHFFFAOYSA-N
Molecular Formula C10H10N4O
Exact Mass 202.085 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-AU353803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:51:44.291622
MetadataModified 2024-01-11T09:51:44.462239
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10930 KEGG Ligand
HY-W014793 MedChemExpress
CHEMBL3187145 ChEMBL
J15.827E Nikkaji
LICKOY CCDC
HMDB0254501 Human Metabolome Database
ZINC000000404228 ZINC
MCULE-6654151782 Mcule
DTXSID7047568 EPA CompTox Dashboard
H69RGO1QO6 FDA SRS
41394-05-2 ACToR
SCHEMBL66369 SureChEMBL
6791 ChEBI
14941049 PubChem: Thomson Pharma
CB1399211 ChemicalBook
38854 PubChem
500893 eMolecules
The data in this table is sourced from UniChem at EBI.