Dataset

Diethylene glycol monobutyl ether acetate

This MassBank record with Accession MSBNK-Athens_Univ-AU502905 contains the MS2 mass spectrum of Diethylene glycol monobutyl ether acetate with the InChIkey VXQBJTKSVGFQOL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
SMILES CCCCOCCOCCOC(=O)C
InChI Key VXQBJTKSVGFQOL-UHFFFAOYSA-N
Molecular Formula C10H20O4
Exact Mass 204.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502905
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:55:18.930080
MetadataModified 2025-02-08T19:04:19.752636
MetadataPublished 2021-04-20
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31288 PubChem
124-17-4 ACToR
16070097 PubChem: Thomson Pharma
497470 eMolecules
CB6308191 ChemicalBook
SCHEMBL48354 SureChEMBL
20096926 NMRShiftDB
U6UTS77LXB FDA SRS
CHEMBL1892052 ChEMBL
ZINC000001680748 ZINC
DTXSID9027021 EPA CompTox Dashboard
J39.184K Nikkaji
The data in this table is sourced from UniChem at EBI.