Dataset

Elvitegravir

This MassBank record with Accession MSBNK-Eawag-EQ01102104 contains the MS2 mass spectrum of Elvitegravir with the InChIkey JUZYLCPPVHEVSV-UHFFFAOYSA-N.

Chemical Info

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01102104
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:58:32.655099
MetadataModified 2025-02-09T09:58:32.825648
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL726251 SureChEMBL
49633043 PubChem: Thomson Pharma
PD056128 ProbesDrugs
697761-98-1 ACToR
23083982 PubChem
HMDB0251760 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.