Dataset

Flutamide; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU235004 contains the MS2 mass spectrum of Flutamide with the InChIkey MKXKFYHWDHIYRV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
SMILES CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChI Key MKXKFYHWDHIYRV-UHFFFAOYSA-N
Molecular Formula C11H11F3N2O3
Exact Mass 276.072 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-AU235004
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3397 PubChem
    15222063 PubChem: Thomson Pharma
    PA449685 PharmGKB
    Flutamide(Eulexin) Selleck
    13311-84-7 ACToR
    337962-98-8 ACToR
    LSM-2621 LINCS
    PD001517 ProbesDrugs
    flutamide Atlas
    76W6J0943E FDA SRS
    538525 eMolecules
    ZINC000003812944 ZINC
    HMDB0014642 Human Metabolome Database
    flutamide DailyMed
    CB2468110 ChemicalBook
    37969 Brenda
    SCHEMBL3934 SureChEMBL
    MCULE-7498839065 Mcule
    FLUTAMIDE rxnorm
    SCH 13521 clinicaltrials
    FLUTAMIDE clinicaltrials
    SCH-13521 clinicaltrials
    EULEXIN clinicaltrials
    FLUTAMIDE DailyMed
    DTXSID7032004 EPA CompTox Dashboard
    1223 DrugCentral
    6943 Guide to Pharmacology
    WEZCOT CCDC
    50131270 BindingDB
    HY-B0022 MedChemExpress
    5132 ChEBI
    C07653 KEGG Ligand
    DB00499 DrugBank
    12013361 PubChem: Drugs of the Future
    SAM002264612 NIH Clinical Collection
    CHEMBL806 ChEMBL
    The data in this table is sourced from UniChem at EBI.