Dataset

MeIQX

This MassBank record with Accession MSBNK-UFZ-UA000603 contains the MS2 mass spectrum of MeIQX with the InChIkey DVCCCQNKIYNAKB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
SMILES Cc1cnc2ccc3c(c2n1)nc(n3C)N
InChI Key DVCCCQNKIYNAKB-UHFFFAOYSA-N
Molecular Formula C11H11N5
Exact Mass 213.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA000603
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:53:03.995679
MetadataModified 2025-02-09T19:49:04.032988
MetadataPublished 2014-06-24
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C19255 KEGG Ligand
J45.288B Nikkaji
DTXSID1020801 EPA CompTox Dashboard
SCHEMBL895846 SureChEMBL
16167742 PubChem: Thomson Pharma
77500-04-0 ACToR
PD150539 ProbesDrugs
5GYH6416ZG FDA SRS
3714924 eMolecules
HMDB0029864 Human Metabolome Database
ZINC000013208862 ZINC
76604 ChEBI
62275 PubChem
The data in this table is sourced from UniChem at EBI.