Dataset

Triisobutyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118118 contains the MS2 mass spectrum of Triisobutyl phosphate with the InChIkey HRKAMJBPFPHCSD-UHFFFAOYSA-N.

Chemical Info

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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118118
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:54.772213
MetadataModified 2024-01-11T09:29:54.937610
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB8174190 ChemicalBook
ZINC000001691056 ZINC
DTXSID8040698 EPA CompTox Dashboard
J184.350H Nikkaji
6MKE1AR3GB FDA SRS
MCULE-7235895537 Mcule
SCHEMBL133326 SureChEMBL
31355 PubChem
126-71-6 ACToR
CHEMBL1887508 ChEMBL
532609 eMolecules
189140 ChEBI
The data in this table is sourced from UniChem at EBI.