Dataset

Mono(2-ethyl-5-hydroxyhexyl) terephthalate; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113628 contains the MS2 mass spectrum of Mono(2-ethyl-5-hydroxyhexyl) terephthalate with the InChIkey ODRKAFOVPBFSIN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22O5/c1-3-12(5-4-11(2)17)10-21-16(20)14-8-6-13(7-9-14)15(18)19/h6-9,11-12,17H,3-5,10H2,1-2H3,(H,18,19)
SMILES CCC(CCC(C)O)COC(=O)c1ccc(C(=O)O)cc1
InChI Key ODRKAFOVPBFSIN-UHFFFAOYSA-N
Molecular Formula C16H22O5
Exact Mass 294.147 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-Antwerp_Univ-AN113628
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MetadataPublished 2021-08-06
Related Molecule
  • 4-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155898867 PubChem
    The data in this table is sourced from UniChem at EBI.