Dataset

Lumefantrine

This MassBank record with Accession MSBNK-Eawag-EQ00331503 contains the MS2 mass spectrum of Lumefantrine with the InChIkey DYLGFOYVTXJFJP-UHFFFAOYSA-N.

Chemical Info

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00331503
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:05:10.791393
MetadataModified 2025-02-09T10:05:10.972362
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2287941291 Mcule
PD056763 ProbesDrugs
26951276 eMolecules
CHEMBL3191144 ChEMBL
HMDB0245584 Human Metabolome Database
108031 PubChem
The data in this table is sourced from UniChem at EBI.