Dataset

Triamylphosphate; LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116405 contains the MS2 mass spectrum of Triamylphosphate with the InChIkey QJAVUVZBMMXBRO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3
SMILES CCCCCOP(=O)(OCCCCC)OCCCCC
InChI Key QJAVUVZBMMXBRO-UHFFFAOYSA-N
Molecular Formula C15H33O4P
Exact Mass 308.212 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-AN116405
Version
Author
Maintainer
Language
MetadataPublished 2021-08-09
Related Molecule
  • tripentyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000005328584 ZINC
    20200191 NMRShiftDB
    SCHEMBL56777 SureChEMBL
    2528-38-3 ACToR
    75665 PubChem
    975974 eMolecules
    J150.771K Nikkaji
    CB5399532 ChemicalBook
    DTXSID3052698 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.