Dataset

CA6PE2; LC-ESI-Q; MS2; 40 V; [M+H]+

This MassBank record with Accession MSBNK-Literature_Specs-LIT00033 contains the MS2 mass spectrum of CA6PE2 with the InChIkey RRPVDZMCSBPRCV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H28O5/c1-21-18(20)7-5-3-2-4-6-16-8-10-17(11-9-16)23-15-14-22-13-12-19/h8-11,19H,2-7,12-15H2,1H3
SMILES O=C(OC)CCCCCCc1ccc(OCCOCCO)cc1
InChI Key RRPVDZMCSBPRCV-UHFFFAOYSA-N
Molecular Formula C18H28O5
Exact Mass 324.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Literature_Specs-LIT00033
Version
Author
Maintainer
Language
MetadataPublished 2016-02-03
Related Molecule
  • methyl 7-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]heptanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137628522 pubchem
    DTXSID20891659 comptox
    The data in this table is sourced from UniChem at EBI.