Dataset

Tris(2-butoxyethyl) phosphate; LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118001 contains the MS2 mass spectrum of Tris(2-butoxyethyl) phosphate with the InChIkey WTLBZVNBAKMVDP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
SMILES CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChI Key WTLBZVNBAKMVDP-UHFFFAOYSA-N
Molecular Formula C18H39O7P
Exact Mass 398.243 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-AN118001
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MetadataPublished 2021-08-09
Related Molecule
  • tris(2-butoxyethyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35038 chebi
    CHEMBL1534811 chembl
    37268 surechembl
    6540 pubchem
    RYA6940G86 fdasrs
    PD167506 probes_and_drugs
    225952 brenda
    225953 brenda
    HMDB0259275 hmdb
    Molport-003-926-251 molport
    The data in this table is sourced from UniChem at EBI.