Dataset

Isodecyl diphenyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118405 contains the MS2 mass spectrum of Isodecyl diphenyl phosphate with the InChIkey RYUJRXVZSJCHDZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3
SMILES CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI Key RYUJRXVZSJCHDZ-UHFFFAOYSA-N
Molecular Formula C22H31O4P
Exact Mass 390.196 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118405
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:07.582811
MetadataModified 2024-01-11T09:32:07.733926
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34697 PubChem
CHEMBL3185336 ChEMBL
J286.954C Nikkaji
CB1156962 ChemicalBook
DTXSID60274200 EPA CompTox Dashboard
2927JBB380 FDA SRS
ZINC000005440848 ZINC
SCHEMBL272247 SureChEMBL
29761-21-5 ACToR
146480-14-0 ACToR
The data in this table is sourced from UniChem at EBI.