Dataset

Tridemorph; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000108 contains the MS2 mass spectrum of Tridemorph with the InChIkey YTOPFCCWCSOHFV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
SMILES CCCCCCCCCCCCCN(C1)CC(C)OC(C)1
InChI Key YTOPFCCWCSOHFV-UHFFFAOYSA-N
Molecular Formula C19H39NO
Exact Mass 297.303 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-WA000108
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2,6-dimethyl-4-tridecylmorpholine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J20.161H Nikkaji
    50487253 BindingDB
    DTXSID3041376 EPA CompTox Dashboard
    CB8334732 ChemicalBook
    83365 ChEBI
    C11285 KEGG Ligand
    3889 Brenda
    HMDB0031810 Human Metabolome Database
    43048 Brenda
    CHEMBL2286765 ChEMBL
    32518 PubChem
    SCHEMBL28670 SureChEMBL
    14873638 PubChem: Thomson Pharma
    24602-86-6 ACToR
    81412-43-3 ACToR
    2735966 eMolecules
    The data in this table is sourced from UniChem at EBI.