Dataset

Fenson

This MassBank record with Accession MSBNK-Eawag-EQ01136802 contains the MS2 mass spectrum of Fenson with the InChIkey SPJOZZSIXXJYBT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
SMILES C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
InChI Key SPJOZZSIXXJYBT-UHFFFAOYSA-N
Molecular Formula C12H9ClO3S
Exact Mass 267.996 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-EQ01136802
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:45:07.234398
MetadataModified 2025-02-09T09:47:21.774923
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-8023140500 Mcule
SCHEMBL165491 SureChEMBL
6636 PubChem
14972178 PubChem: Thomson Pharma
80-38-6 ACToR
DFC2HB4I0K FDA SRS
509848 eMolecules
C19030 KEGG Ligand
CHEMBL1495617 ChEMBL
ZINC000001599346 ZINC
J4.249H Nikkaji
DTXSID6041973 EPA CompTox Dashboard
82160 ChEBI
HMDB0252223 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.