Dataset

2-Ethylhexyl diphenyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118513 contains the MS2 mass spectrum of 2-Ethylhexyl diphenyl phosphate with the InChIkey CGSLYBDCEGBZCG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
SMILES CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI Key CGSLYBDCEGBZCG-UHFFFAOYSA-N
Molecular Formula C20H27O4P
Exact Mass 362.165 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118513
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:39.797316
MetadataModified 2024-01-11T09:29:39.954875
MetadataPublished 2021-09-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4F53Z6NE1Y FDA SRS
HMDB0245120 Human Metabolome Database
J7.469A Nikkaji
20208545 NMRShiftDB
SCHEMBL93483 SureChEMBL
3716444 eMolecules
188855 ChEBI
14852580 PubChem: Thomson Pharma
1241-94-7 ACToR
CHEMBL2105213 ChEMBL
CB4219426 ChemicalBook
DTXSID1025300 EPA CompTox Dashboard
225946 Brenda
14716 PubChem
The data in this table is sourced from UniChem at EBI.