Dataset

Dexpanthenol; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027038 contains the MS2 mass spectrum of Dexpanthenol with the InChIkey SNPLKNRPJHDVJA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
SMILES CC(C)(CO)C(C(=O)NCCCO)O
InChI Key SNPLKNRPJHDVJA-UHFFFAOYSA-N
Molecular Formula C9H19NO4
Exact Mass 205.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027038
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11204 drugbank
    CHEMBL1371937 chembl
    15567 surechembl
    4678 pubchem
    WV9CM0O67Z fdasrs
    PD000345 probes_and_drugs
    HMDB0304820 hmdb
    Molport-003-666-718 molport
    The data in this table is sourced from UniChem at EBI.