Dataset

Tris(2-ethylhexyl)phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117402 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:57.237116
MetadataModified 2024-01-11T09:30:57.379358
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
78-42-2 ACToR
181994 ChEBI
PD167505 ProbesDrugs
6537 PubChem
14759034 PubChem: Thomson Pharma
HMDB0259278 Human Metabolome Database
SCHEMBL35485 SureChEMBL
J1.953D Nikkaji
20097635 NMRShiftDB
DTXSID0021414 EPA CompTox Dashboard
BQC0BKB72S FDA SRS
CB4670674 ChemicalBook
CHEMBL1562290 ChEMBL
495056 eMolecules
The data in this table is sourced from UniChem at EBI.