Dataset

Tris(2-ethylhexl)phosphate; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU247503 contains the MS2 mass spectrum of Tris(2-ethylhexl)phosphate with the InChIkey GTVWRXDRKAHEAD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
SMILES CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChI Key GTVWRXDRKAHEAD-UHFFFAOYSA-N
Molecular Formula C24H51O4P
Exact Mass 434.352 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-Athens_Univ-AU247503
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MetadataPublished 2019-04-08
Related Molecule
  • tris(2-ethylhexyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181994 chebi
    CHEMBL1562290 chembl
    35485 surechembl
    6537 pubchem
    PD167505 probes_and_drugs
    225951 brenda
    BQC0BKB72S fdasrs
    HMDB0259278 hmdb
    Molport-003-929-298 molport
    The data in this table is sourced from UniChem at EBI.