Dataset

Sulisobenzone

This MassBank record with Accession MSBNK-Eawag-EQ500203 contains the MS2 mass spectrum of Sulisobenzone with the InChIkey CXVGEDCSTKKODG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
SMILES COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
InChI Key CXVGEDCSTKKODG-UHFFFAOYSA-N
Molecular Formula C14H12O6S
Exact Mass 308.036 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-EQ500203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:07:54.574589
MetadataModified 2025-02-09T09:32:23.995205
MetadataPublished 2021-03-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14849889 PubChem: Thomson Pharma
19988 PubChem
477303 eMolecules
4065-45-6 ACToR
CHEMBL2059073 ChEMBL
1W6L629B4K FDA SRS
SCHEMBL16330 SureChEMBL
PD000393 ProbesDrugs
MCULE-1313711100 Mcule
DB11185 DrugBank
J8.677K Nikkaji
HMDB0258614 Human Metabolome Database
I4Y PDBe
SULISOBENZONE DailyMed
SULISOBENZONE rxnorm
ZINC000001690324 ZINC
UVINUL MS-40 clinicaltrials
SULISOBENZONE clinicaltrials
UVINUL MS 40 clinicaltrials
DTXSID2042436 EPA CompTox Dashboard
3572 DrugCentral
135312 ChEBI
HY-B1162 MedChemExpress
sulisobenzone DailyMed
CB1359279 ChemicalBook
The data in this table is sourced from UniChem at EBI.