Dataset

Di-n-butyl phosphate; LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116729 contains the MS2 mass spectrum of Di-n-butyl phosphate with the InChIkey JYFHYPJRHGVZDY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
SMILES CCCCOP(=O)(O)OCCCC
InChI Key JYFHYPJRHGVZDY-UHFFFAOYSA-N
Molecular Formula C8H19O4P
Exact Mass 210.102 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-AN116729
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MetadataPublished 2021-08-09
Related Molecule
  • dibutyl hydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166473 ChEBI
    ZINC000001577196 ZINC
    DTXSID3040728 EPA CompTox Dashboard
    233923 Brenda
    CHEMBL3187678 ChEMBL
    J150.769I Nikkaji
    CB1489161 ChemicalBook
    SCHEMBL26559 SureChEMBL
    16143733 PubChem: Thomson Pharma
    35837-53-7 ACToR
    19069-28-4 ACToR
    107-66-4 ACToR
    0072NN74TN FDA SRS
    500252 eMolecules
    7881 PubChem
    The data in this table is sourced from UniChem at EBI.