Dataset

Tributyl phosphate; LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118209 contains the MS2 mass spectrum of Tributyl phosphate with the InChIkey STCOOQWBFONSKY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
SMILES CCCCOP(=O)(OCCCC)OCCCC
InChI Key STCOOQWBFONSKY-UHFFFAOYSA-N
Molecular Formula C12H27O4P
Exact Mass 266.165 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-AN118209
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MetadataPublished 2021-08-09
Related Molecule
  • tributyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35019 chebi
    CHEMBL1371096 chembl
    18570 surechembl
    31357 pubchem
    95UAS8YAF5 fdasrs
    PD220534 probes_and_drugs
    225954 brenda
    231778 brenda
    HMDB0259164 hmdb
    Molport-001-779-917 molport
    The data in this table is sourced from UniChem at EBI.