Dataset

PharmaGSID_48516

This MassBank record with Accession MSBNK-LCSB-LU073606 contains the MS2 mass spectrum of PharmaGSID_48516 with the InChIkey AUMLVMKWJGCERZ-CMDGGOBGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H11ClFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+
SMILES O=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Cl
InChI Key AUMLVMKWJGCERZ-CMDGGOBGSA-N
Molecular Formula C15H11ClFNO3S
Exact Mass 339.013 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-LCSB-LU073606
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:01.439834
MetadataModified 2025-02-09T14:45:59.670640
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15603288 PubChem
SCHEMBL5418975 SureChEMBL
DTXSID4048517 EPA CompTox Dashboard
ZINC000034602684 ZINC
CHEMBL3306344 ChEMBL
The data in this table is sourced from UniChem at EBI.