Dataset

Tris(2-ethylhexyl)phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117417 contains the MS2 mass spectrum of Tris(2-ethylhexyl)phosphate with the InChIkey GTVWRXDRKAHEAD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
SMILES CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChI Key GTVWRXDRKAHEAD-UHFFFAOYSA-N
Molecular Formula C24H51O4P
Exact Mass 434.353 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-AN117417
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:16.163228
MetadataModified 2025-02-08T18:46:09.161068
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL35485 SureChEMBL
20097635 NMRShiftDB
CB4670674 ChemicalBook
78-42-2 ACToR
181994 ChEBI
PD167505 ProbesDrugs
6537 PubChem
14759034 PubChem: Thomson Pharma
495056 eMolecules
CHEMBL1562290 ChEMBL
J1.953D Nikkaji
HMDB0259278 Human Metabolome Database
BQC0BKB72S FDA SRS
DTXSID0021414 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.