Dataset

Imazapyr

This MassBank record with Accession MSBNK-Athens_Univ-AU263006 contains the MS2 mass spectrum of Imazapyr with the InChIkey CLQMBPJKHLGMQK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
SMILES CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O
InChI Key CLQMBPJKHLGMQK-UHFFFAOYSA-N
Molecular Formula C13H15N3O3
Exact Mass 261.111 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-Athens_Univ-AU263006
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:03:35.770871
MetadataModified 2025-02-08T19:04:13.262257
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18864 KEGG Ligand
CHEMBL1621900 ChEMBL
J43.085D Nikkaji
HMDB0253405 Human Metabolome Database
787MX0M5A6 FDA SRS
DTXSID8034665 EPA CompTox Dashboard
133187 ChEBI
502854 eMolecules
54738 PubChem
81334-34-1 ACToR
108224-78-8 ACToR
14774688 PubChem: Thomson Pharma
CB7121753 ChemicalBook
MCULE-3962728180 Mcule
SCHEMBL18541 SureChEMBL
20209517 NMRShiftDB
The data in this table is sourced from UniChem at EBI.