Dataset

Dorzolamide

This MassBank record with Accession MSBNK-Eawag-EQ01077105 contains the MS2 mass spectrum of Dorzolamide with the InChIkey IAVUPMFITXYVAF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)
SMILES CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C
InChI Key IAVUPMFITXYVAF-UHFFFAOYSA-N
Molecular Formula C10H16N2O4S3
Exact Mass 324.027 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-EQ01077105
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:08:53.436370
MetadataModified 2025-02-09T10:08:53.633875
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL269001 ChEMBL
DTXSID10274396 EPA CompTox Dashboard
J1.325.464H Nikkaji
50043906 BindingDB
SCHEMBL3306381 SureChEMBL
PA164748765 PharmGKB
1266 Brenda
3154 PubChem
14797235 PubChem: Thomson Pharma
PD075254 ProbesDrugs
The data in this table is sourced from UniChem at EBI.