Dataset

Triisobutyl phosphate; LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118101 contains the MS2 mass spectrum of Triisobutyl phosphate 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 CC(C)COP(=O)(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-Antwerp_Univ-AN118101
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MetadataPublished 2021-08-09
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    DTXSID8040698 EPA CompTox Dashboard
    ZINC000001691056 ZINC
    J184.350H Nikkaji
    CHEMBL1887508 ChEMBL
    CB8174190 ChemicalBook
    SCHEMBL133326 SureChEMBL
    MCULE-7235895537 Mcule
    6MKE1AR3GB FDA SRS
    31355 PubChem
    126-71-6 ACToR
    532609 eMolecules
    189140 ChEBI
    The data in this table is sourced from UniChem at EBI.