Dataset

Mono(2-ethylhexyl) adipate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113327 contains the MS2 mass spectrum of Mono(2-ethylhexyl) adipate with the InChIkey MBGYSHXGENGTBP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)
SMILES CCCCC(CC)COC(=O)CCCCC(=O)O
InChI Key MBGYSHXGENGTBP-UHFFFAOYSA-N
Molecular Formula C14H26O4
Exact Mass 258.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113327
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:38.775732
MetadataModified 2024-01-11T09:40:38.946591
MetadataPublished 2021-08-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20342 PubChem
16437314 PubChem: Thomson Pharma
4337-65-9 ACToR
DTXSID3025679 EPA CompTox Dashboard
D01X12CH07 FDA SRS
SCHEMBL433435 SureChEMBL
J21.766B Nikkaji
The data in this table is sourced from UniChem at EBI.