Dataset

Acetonyltriphenylphosphonium; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111012618 contains the MS2 mass spectrum of Acetonyltriphenylphosphonium with the InChIkey JNNWBCPZJMSRRI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3/q+1
SMILES CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI Key JNNWBCPZJMSRRI-UHFFFAOYSA-N
Molecular Formula [C21H20OP]+
Exact Mass 319.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111012618
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-oxopropyl(triphenyl)phosphanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    196995 PubChem
    MCULE-3015219264 Mcule
    J238.160E Nikkaji
    ZINC000095682172 ZINC
    LETBUJ CCDC
    DTXSID80276746 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.