Dataset

Mono(2-ethyl-5-carboxypentyl) terephthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115825 contains the MS2 mass spectrum of Mono(2-ethyl-5-carboxypentyl) terephthalate with the InChIkey BIQPFHSSQDGFTK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H20O6/c1-2-11(4-3-5-14(17)18)10-22-16(21)13-8-6-12(7-9-13)15(19)20/h6-9,11H,2-5,10H2,1H3,(H,17,18)(H,19,20)
SMILES CCC(CCCC(=O)O)COC(=O)C1=CC=C(C=C1)C(=O)O
InChI Key BIQPFHSSQDGFTK-UHFFFAOYSA-N
Molecular Formula C16H20O6
Exact Mass 308.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115825
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:30.714349
MetadataModified 2024-01-11T09:29:30.878712
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
165207 ChEBI
145459123 PubChem
The data in this table is sourced from UniChem at EBI.