Dataset

Letrozole; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00358504 contains the MS2 mass spectrum of Letrozole with the InChIkey HPJKCIUCZWXJDR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
SMILES C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
InChI Key HPJKCIUCZWXJDR-UHFFFAOYSA-N
Molecular Formula C17H11N5
Exact Mass 285.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00358504
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MetadataPublished 2024-06-14
Related Molecule
  • 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01006 drugbank
    CHEBI:6413 chebi
    CHEMBL1444 chembl
    4331 surechembl
    3902 pubchem
    7LKK855W8I fdasrs
    5209 gtopdb
    PD001661 probes_and_drugs
    UKAKIA CCDC
    18195 brenda
    HMDB0015141 hmdb
    1556 drugcentral
    13061 bindingdb
    The data in this table is sourced from UniChem at EBI.