Dataset

Tri-isobutylphosphate

This MassBank record with Accession MSBNK-UFZ-UF418804 contains the MS2 mass spectrum of Tri-isobutylphosphate 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 O=P(OCC(C)C)(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-UFZ-UF418804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:43:53.073107
MetadataModified 2025-02-09T19:48:14.975552
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
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.