Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00331505 contains the MS2 mass spectrum of Lumefantrine with the InChIkey DYLGFOYVTXJFJP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3
SMILES CCCCN(CCCC)CC(C1=C2C3=C(C=C(C=C3)Cl)C(=CC4=CC=C(C=C4)Cl)C2=CC(=C1)Cl)O
InChI Key DYLGFOYVTXJFJP-UHFFFAOYSA-N
Molecular Formula C30H32Cl3NO
Exact Mass 527.155 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-EQ00331505
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(dibutylamino)-1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3191144 chembl
    4109438 surechembl
    108031 pubchem
    9969 gtopdb
    PD056763 probes_and_drugs
    HMDB0245584 hmdb
    Molport-023-219-651 molport
    The data in this table is sourced from UniChem at EBI.