Dataset

Panthenol; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81892 contains the MS mass spectrum of Panthenol 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 https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81892
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    CHEMBL1371937 ChEMBL
    CB3274109 ChemicalBook
    HMDB0304820 Human Metabolome Database
    PANTHENOL DailyMed
    DTXSID3044598 EPA CompTox Dashboard
    MCULE-2403906933 Mcule
    J321.113D Nikkaji
    40129051 NMRShiftDB
    PANTHENOL clinicaltrials
    PANTHENOL rxnorm
    ILOPAN clinicaltrials
    DEXPANTHENOL clinicaltrials
    WV9CM0O67Z FDA SRS
    HY-B1024 MedChemExpress
    SCHEMBL15567 SureChEMBL
    panthenol DailyMed
    4678 PubChem
    DB11204 DrugBank
    PD000345 ProbesDrugs
    LSM-6472 LINCS
    14748785 PubChem: Thomson Pharma
    1113-70-8 ACToR
    16485-10-2 ACToR
    81-13-0 ACToR
    495606 eMolecules
    The data in this table is sourced from UniChem at EBI.