Dataset

TDCPP; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU246905 contains the MS2 mass spectrum of TDCPP with the InChIkey ASLWPAWFJZFCKF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
SMILES ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl
InChI Key ASLWPAWFJZFCKF-UHFFFAOYSA-N
Molecular Formula C9H15Cl6O4P
Exact Mass 427.884 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-AU246905
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Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • tris(1,3-dichloropropan-2-yl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26177 PubChem
    HY-108712 MedChemExpress
    CHEMBL3182032 ChEMBL
    HMDB0244565 Human Metabolome Database
    ZINC000002019519 ZINC
    DTXSID9026261 EPA CompTox Dashboard
    J640H Nikkaji
    225944 Brenda
    143729 ChEBI
    CB5194948 ChemicalBook
    B1PRV4G0T0 FDA SRS
    SCHEMBL333198 SureChEMBL
    20097640 NMRShiftDB
    13674-87-8 ACToR
    PD102521 ProbesDrugs
    3716674 eMolecules
    The data in this table is sourced from UniChem at EBI.