Dataset

Tri-o-tolyl phosphate; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117702 contains the MS2 mass spectrum of Tri-o-tolyl phosphate with the InChIkey YSMRWXYRXBRSND-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
SMILES CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI Key YSMRWXYRXBRSND-UHFFFAOYSA-N
Molecular Formula C21H21O4P
Exact Mass 368.118 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-AN117702
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MetadataPublished 2021-08-09
Related Molecule
  • tris(2-methylphenyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3181798 chembl
    29405980 surechembl
    35762 surechembl
    6527 pubchem
    X8II18JD0A fdasrs
    PD210492 probes_and_drugs
    147115 brenda
    22376 brenda
    HMDB0259135 hmdb
    80034554 nmrshiftdb2
    Molport-006-109-788 molport
    82063 bindingdb
    The data in this table is sourced from UniChem at EBI.