Dataset

Imazapyr

This MassBank record with Accession MSBNK-AGILENT-AG000036 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 CC1(N=C(NC1=O)C1=NC=CC=C1C(O)=O)C(C)C
InChI Key CLQMBPJKHLGMQK-UHFFFAOYSA-N
Molecular Formula C13H15N3O3
Exact Mass 261.111 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000036
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:28:53.731806
MetadataModified 2024-01-11T09:28:53.889909
MetadataPublished 2023-02-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1621900 ChEMBL
C18864 KEGG Ligand
502854 eMolecules
CB7121753 ChemicalBook
787MX0M5A6 FDA SRS
133187 ChEBI
DTXSID8034665 EPA CompTox Dashboard
J43.085D Nikkaji
HMDB0253405 Human Metabolome Database
MCULE-3962728180 Mcule
20209517 NMRShiftDB
SCHEMBL18541 SureChEMBL
81334-34-1 ACToR
108224-78-8 ACToR
14774688 PubChem: Thomson Pharma
54738 PubChem
The data in this table is sourced from UniChem at EBI.