Dataset

CA6PE2C; LC-ESI-Q; MS2; 40 V; [M+H]+

This MassBank record with Accession MSBNK-Literature_Specs-LIT00032 contains the MS2 mass spectrum of CA6PE2C with the InChIkey AWCKHGHJGUQVSR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H28O6/c1-22-18(20)8-6-4-3-5-7-16-9-11-17(12-10-16)25-14-13-24-15-19(21)23-2/h9-12H,3-8,13-15H2,1-2H3
SMILES O=C(OC)CCCCCCc1ccc(OCCOCC(=O)OC)cc1
InChI Key AWCKHGHJGUQVSR-UHFFFAOYSA-N
Molecular Formula C19H28O6
Exact Mass 352.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Literature_Specs-LIT00032
Version
Author
Maintainer
Language
MetadataPublished 2016-02-03
Related Molecule
  • methyl 7-[4-[2-(2-methoxy-2-oxoethoxy)ethoxy]phenyl]heptanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137628338 pubchem
    DTXSID60891658 comptox
    The data in this table is sourced from UniChem at EBI.