Dataset

Tri-isobutylphosphate; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF418804 contains the MS2 mass spectrum of Tri-isobutylphosphate with the InChIkey HRKAMJBPFPHCSD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
SMILES O=P(OCC(C)C)(OCC(C)C)OCC(C)C
InChI Key HRKAMJBPFPHCSD-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-UFZ-UF418804
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • tris(2-methylpropyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:189140 chebi
    CHEMBL1887508 chembl
    133326 surechembl
    31355 pubchem
    6MKE1AR3GB fdasrs
    Molport-001-783-766 molport
    The data in this table is sourced from UniChem at EBI.