Dataset

Neopentyl-Glycol-Diglycidyl-Ether

This MassBank record with Accession MSBNK-Eawag-EQ01115606 contains the MS2 mass spectrum of Neopentyl-Glycol-Diglycidyl-Ether with the InChIkey KUAUJXBLDYVELT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
SMILES CC(C)(COCC1CO1)COCC2CO2
InChI Key KUAUJXBLDYVELT-UHFFFAOYSA-N
Molecular Formula C11H20O4
Exact Mass 216.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01115606
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:09:59.781562
MetadataModified 2025-02-09T10:09:59.980022
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1587512 ChEMBL
DTXSID8025707 EPA CompTox Dashboard
J64.260F Nikkaji
9288EM7AOW FDA SRS
498980 eMolecules
CB9243448 ChemicalBook
SCHEMBL36455 SureChEMBL
54847-49-3 ACToR
28594 PubChem
15121326 PubChem: Thomson Pharma
17557-23-2 ACToR
The data in this table is sourced from UniChem at EBI.