Dataset

Mono(2-ethyl-5-oxohexyl) adipate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113233 contains the MS2 mass spectrum of Mono(2-ethyl-5-oxohexyl) adipate with the InChIkey XLMWFRRVVDGMRV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H24O5/c1-3-12(9-8-11(2)15)10-19-14(18)7-5-4-6-13(16)17/h12H,3-10H2,1-2H3,(H,16,17)
SMILES CCC(CCC(=O)C)COC(=O)CCCCC(=O)O
InChI Key XLMWFRRVVDGMRV-UHFFFAOYSA-N
Molecular Formula C14H24O5
Exact Mass 272.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113233
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:35.636709
MetadataModified 2024-01-11T09:30:35.806243
MetadataPublished 2021-08-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134998-72-4 ACToR
148780 PubChem
The data in this table is sourced from UniChem at EBI.