Dataset

Tris(2-chloroethyl)phosphate; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU246301 contains the MS2 mass spectrum of Tris(2-chloroethyl)phosphate with the InChIkey HQUQLFOMPYWACS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
SMILES ClCCOP(=O)(OCCCl)OCCCl
InChI Key HQUQLFOMPYWACS-UHFFFAOYSA-N
Molecular Formula C6H12Cl3O4P
Exact Mass 283.954 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-AU246301
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MetadataPublished 2019-04-05
Related Molecule
  • tris(2-chloroethyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35037 chebi
    CHEMBL1413786 chembl
    26896 surechembl
    8295 pubchem
    32IVO568B0 fdasrs
    PD055447 probes_and_drugs
    225947 brenda
    225948 brenda
    HMDB0259276 hmdb
    The data in this table is sourced from UniChem at EBI.