Dataset

Isodecyl diphenyl phosphate; LC-ESI-QTOF; MS2; CE: 60eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118412 contains the MS2 mass spectrum of Isodecyl diphenyl phosphate with the InChIkey RYUJRXVZSJCHDZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3
SMILES CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI Key RYUJRXVZSJCHDZ-UHFFFAOYSA-N
Molecular Formula C22H31O4P
Exact Mass 390.196 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118412
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MetadataPublished 2021-08-09
Related Molecule
  • 8-methylnonyl diphenyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3185336 chembl
    272247 surechembl
    34697 pubchem
    2927JBB380 fdasrs
    Molport-006-149-286 molport
    The data in this table is sourced from UniChem at EBI.