Dataset

Tris(2-chloropropyl) phosphate; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00326609 contains the MS2 mass spectrum of Tris(2-chloropropyl) phosphate with the InChIkey GTRSAMFYSUBAGN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
SMILES CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl
InChI Key GTRSAMFYSUBAGN-UHFFFAOYSA-N
Molecular Formula C9H18Cl3O4P
Exact Mass 326.001 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00326609
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • tris(2-chloropropyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J227.331D Nikkaji
    CHEMBL3182409 ChEMBL
    HMDB0259277 Human Metabolome Database
    DTXSID3027615 EPA CompTox Dashboard
    N90B627VHY FDA SRS
    CB5915448 ChemicalBook
    22522 PubChem
    20200220 NMRShiftDB
    SCHEMBL25060 SureChEMBL
    101551-02-4 ACToR
    6145-73-9 ACToR
    16585760 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.