Dataset

Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000101 contains the MS2 mass spectrum of Tralkoxydim (isomer2) with the InChIkey SOTLWPHEAQOHHC-SILNSSARSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3/b20-16-
SMILES CCONC(CC)=C(C(=O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1
InChI Key SOTLWPHEAQOHHC-SILNSSARSA-N
Molecular Formula C20H27NO3
Exact Mass 329.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000101
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol12887(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4713 brenda
    The data in this table is sourced from UniChem at EBI.