Dataset

Torasemidecarboxylic acid; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01142859 contains the MS2 mass spectrum of Torasemidecarboxylic acid with the InChIkey PGPRBNDLCZQUST-UHFFFAOYSA-N.

Chemical Information

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

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01142859
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MetadataPublished 2024-05-08
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
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