Dataset

Tri(butoxyethyl)phosphate; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF418601 contains the MS2 mass spectrum of Tri(butoxyethyl)phosphate with the InChIkey BGNTUSKZDOUZCZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H39O7P/c1-7-10-13-20-16(4)23-26(19,24-17(5)21-14-11-8-2)25-18(6)22-15-12-9-3/h16-18H,7-15H2,1-6H3
SMILES CCCCOC(C)OP(=O)(OC(C)OCCCC)OC(C)OCCCC
InChI Key BGNTUSKZDOUZCZ-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-UFZ-UF418601
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • tris(1-butoxyethyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    37267 surechembl
    23461823 pubchem
    The data in this table is sourced from UniChem at EBI.