Dataset

Torasemidecarboxylic acid

This MassBank record with Accession MSBNK-Eawag-EQ01142852 contains the MS2 mass spectrum of Torasemidecarboxylic acid with the InChIkey PGPRBNDLCZQUST-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18N4O5S/c1-10(2)18-16(23)20-26(24,25)14-9-17-7-6-13(14)19-12-5-3-4-11(8-12)15(21)22/h3-10H,1-2H3,(H,17,19)(H,21,22)(H2,18,20,23)
SMILES CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(=O)O
InChI Key PGPRBNDLCZQUST-UHFFFAOYSA-N
Molecular Formula C16H18N4O5S
Exact Mass 378.100 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-EQ01142852
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:04:58.823208
MetadataModified 2025-02-09T10:04:59.025417
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
46529211 PubChem: Thomson Pharma
14475218 PubChem
J1.688.546K Nikkaji
155916 ChEBI
MTBLC155916 Metabolights
The data in this table is sourced from UniChem at EBI.