Dataset

4-(Triphenylphosphonio)-1-butanesulfonate; LC-ESI-QTOF; MS2; 80 V

This MassBank record with Accession MSBNK-BAFG-CSL231109893 contains the MS2 mass spectrum of 4-(Triphenylphosphonio)-1-butanesulfonate with the InChIkey RKQKXPDRWYNUGZ-UHFFFAOYSA-O.

Chemical Information

molecular Image
InChI InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1
SMILES OS(=O)(CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)=O
InChI Key RKQKXPDRWYNUGZ-UHFFFAOYSA-O
Molecular Formula [C22H24O3PS]+
Exact Mass 399.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL231109893
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Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • triphenyl(4-sulfobutyl)phosphanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101393310 pubchem
    11226883 pubchem
    The data in this table is sourced from UniChem at EBI.