Dataset

Trinexapac-ethyl; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111018968 contains the MS2 mass spectrum of Trinexapac-ethyl with the InChIkey RVKCCVTVZORVGD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3
SMILES CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1
InChI Key RVKCCVTVZORVGD-UHFFFAOYSA-N
Molecular Formula C13H16O5
Exact Mass 252.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111018968
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92421 PubChem
    ZINC000100076969 ZINC
    The data in this table is sourced from UniChem at EBI.