Dataset

Dipropyleneglycol-dibenzoate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113003 contains the MS2 mass spectrum of Dipropyleneglycol-dibenzoate with the InChIkey IZYUWBATGXUSIK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
SMILES CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1
InChI Key IZYUWBATGXUSIK-UHFFFAOYSA-N
Molecular Formula C20H22O5
Exact Mass 342.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:47.637020
MetadataModified 2024-01-11T09:29:47.791672
MetadataPublished 2021-08-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1877406 ChEMBL
9QQI0RSO3H FDA SRS
J155.941I Nikkaji
DTXSID6027921 EPA CompTox Dashboard
94-03-1 ACToR
SCHEMBL1255193 SureChEMBL
101560 PubChem
CB1192113 ChemicalBook
The data in this table is sourced from UniChem at EBI.