Dataset

Imazapyr; LC-ESI-QTOF; MS2; CE: Ramp 20.2-30.4 eV; R=35000; [M+H]+

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

Chemical Information

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
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MetadataPublished 2019-05-30
Related Molecule
  • 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
    • 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.