Dataset

Anagrelide; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL23111011004 contains the MS2 mass spectrum of Anagrelide with the InChIkey OTBXOEAOVRKTNQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
SMILES c1cc(c(c2c1NC3=NC(=O)CN3C2)Cl)Cl
InChI Key OTBXOEAOVRKTNQ-UHFFFAOYSA-N
Molecular Formula C10H7Cl2N3O
Exact Mass 254.997 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111011004
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD010137 ProbesDrugs
    K9X45X0051 FDA SRS
    DB00261 DrugBank
    14798804 PubChem: Thomson Pharma
    SCHEMBL9411 SureChEMBL
    PA164742986 PharmGKB
    14774505 PubChem: Thomson Pharma
    LSM-3380 LINCS
    901387 eMolecules
    2726176 eMolecules
    ZINC000003871541 ZINC
    anagrelide DailyMed
    HMDB0014406 Human Metabolome Database
    CHEMBL760 ChEMBL
    142290 ChEBI
    ANAGRELIDE DailyMed
    50000334 BindingDB
    ANAGRELIDE rxnorm
    AGRYLIN rxnorm
    ANAGRELIDE HYDROCHLORIDE clinicaltrials
    THROMBOREDUCTIN clinicaltrials
    AGRYLIN clinicaltrials
    ANAGRELIDE clinicaltrials
    BL-4162A clinicaltrials
    XAGRID clinicaltrials
    J33 PDBe
    209 DrugCentral
    7114 Guide to Pharmacology
    J18.596E Nikkaji
    ANAGRELIDE HYDROCHLORIDE rxnorm
    CB8246866 ChemicalBook
    135409400 PubChem
    The data in this table is sourced from UniChem at EBI.