Dataset

Efavirenz; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU235757 contains the MS2 mass spectrum of Efavirenz with the InChIkey XPOQHMRABVBWPR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)
SMILES FC(F)(F)C1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1
InChI Key XPOQHMRABVBWPR-UHFFFAOYSA-N
Molecular Formula C14H9ClF3NO2
Exact Mass 315.027 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-AU235757
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Maintainer
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MetadataPublished 2019-03-29
Related Molecule
  • 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL59507 chembl
    464769 surechembl
    3203 pubchem
    11287 gtopdb
    PD014062 probes_and_drugs
    YXP9JDK7R7 fdasrs
    Molport-002-507-816 molport
    The data in this table is sourced from UniChem at EBI.