Dataset

Elvitegravir; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01102105 contains the MS2 mass spectrum of Elvitegravir with the InChIkey JUZYLCPPVHEVSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)
SMILES CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
InChI Key JUZYLCPPVHEVSV-UHFFFAOYSA-N
Molecular Formula C23H23ClFNO5
Exact Mass 447.125 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01102105
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MetadataPublished 2024-06-14
Related Molecule
  • 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    726251 surechembl
    23083982 pubchem
    11574 gtopdb
    PD056128 probes_and_drugs
    HMDB0251760 hmdb
    Molport-042-676-304 molport
    The data in this table is sourced from UniChem at EBI.