Dataset

Isopentyltriphenylphosphonium; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111015861 contains the MS2 mass spectrum of Isopentyltriphenylphosphonium with the InChIkey QKMNVQGPFDVZTK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H26P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3/q+1
SMILES CC(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI Key QKMNVQGPFDVZTK-UHFFFAOYSA-N
Molecular Formula [C23H26P]+
Exact Mass 333.177 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111015861
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 3-methylbutyl(triphenyl)phosphanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-6309153037 Mcule
    J257.441A Nikkaji
    ZINC000060272543 ZINC
    IDOTIF CCDC
    4399310 eMolecules
    2759380 PubChem
    The data in this table is sourced from UniChem at EBI.