Dataset

Tri-m-tolyl phosphate; LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117506 contains the MS2 mass spectrum of Tri-m-tolyl phosphate with the InChIkey RMLPZKRPSQVRAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3
SMILES CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C
InChI Key RMLPZKRPSQVRAB-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-AN117506
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Maintainer
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MetadataPublished 2021-08-09
Related Molecule
  • tris(3-methylphenyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    187081 surechembl
    29790831 surechembl
    11232 pubchem
    W09Q34ON6J fdasrs
    225942 brenda
    Molport-002-132-413 molport
    The data in this table is sourced from UniChem at EBI.