Dataset

Tricresylphosphate; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA081505070APH contains the MS2 mass spectrum of Tricresylphosphate with the InChIkey BOSMZFBHAYFUBJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
SMILES CC1=CC=C(OP(=O)(OC2=CC=C(C)C=C2)OC2=CC=C(C)C=C2)C=C1
InChI Key BOSMZFBHAYFUBJ-UHFFFAOYSA-N
Molecular Formula C21H21O4P
Exact Mass 368.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA081505070APH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-12
Related Molecule
  • tris(4-methylphenyl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1596847 chembl
    21582 surechembl
    6529 pubchem
    5149JKD098 fdasrs
    HMDB0259136 hmdb
    80029102 nmrshiftdb2
    Molport-002-321-519 molport
    The data in this table is sourced from UniChem at EBI.