Dataset

Imazaquin

This MassBank record with Accession MSBNK-Waters-WA000188 contains the MS2 mass spectrum of Imazaquin with the InChIkey CABMTIJINOIHOD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
SMILES OC(=O)c(c2)c(nc(c3)c(ccc3)2)C(N1)=NC(C)(C(C)C)C(=O)1
InChI Key CABMTIJINOIHOD-UHFFFAOYSA-N
Molecular Formula C17H17N3O3
Exact Mass 311.127 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000188
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:01.654950
MetadataModified 2025-02-09T20:23:57.133614
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
502856 eMolecules
124344774 PubChem: Thomson Pharma
81335-37-7 ACToR
PD039691 ProbesDrugs
54739 PubChem
SCHEMBL18804 SureChEMBL
4296 Brenda
MCULE-5064495052 Mcule
DTXSID3024152 EPA CompTox Dashboard
J364.773K Nikkaji
147361 ChEBI
8LZY7C31XA FDA SRS
HY-W040189 MedChemExpress
50486241 BindingDB
CB4212023 ChemicalBook
CHEMBL1447880 ChEMBL
C05076 KEGG Ligand
The data in this table is sourced from UniChem at EBI.