Dataset

Anastrozole; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU275003 contains the MS2 mass spectrum of Anastrozole with the InChIkey YBBLVLTVTVSKRW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3
SMILES CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N
InChI Key YBBLVLTVTVSKRW-UHFFFAOYSA-N
Molecular Formula C17H19N5
Exact Mass 293.164 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-AU275003
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MetadataPublished 2019-05-30
Related Molecule
  • 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2187 PubChem
    PD003143 ProbesDrugs
    NSC-719344 clinicaltrials
    2Z07MYW1AZ FDA SRS
    LSM-5631 LINCS
    14751420 PubChem: Thomson Pharma
    120511-73-1 ACToR
    PA448432 PharmGKB
    Anastrozole Selleck
    SCHEMBL9726 SureChEMBL
    901391 eMolecules
    27516220 eMolecules
    CB3121715 ChemicalBook
    anastrozole DailyMed
    HMDB0015348 Human Metabolome Database
    19102 Brenda
    MCULE-3029589501 Mcule
    ANASTROZOLE DailyMed
    10015 BindingDB
    ARIMIDEX rxnorm
    ANASTROZOLE clinicaltrials
    ARIMIDEX clinicaltrials
    ICI D1033 clinicaltrials
    ICI-D1033 clinicaltrials
    ZD1033 clinicaltrials
    ZD-1033 clinicaltrials
    HY-14274 MedChemExpress
    DTXSID9022607 EPA CompTox Dashboard
    210 DrugCentral
    ZINC000000000941 ZINC
    5137 Guide to Pharmacology
    J592.428F Nikkaji
    SATHOL CCDC
    ANASTROZOLE rxnorm
    219759 Brenda
    DB01217 DrugBank
    CHEMBL1399 ChEMBL
    C08159 KEGG Ligand
    12014321 PubChem: Drugs of the Future
    2704 ChEBI
    SAM001246525 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.