Dataset

1-DECANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007314 contains the MS mass spectrum of 1-DECANOL with the InChIkey MWKFXSUHUHTGQN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
SMILES CCCCCCCCCCO
InChI Key MWKFXSUHUHTGQN-UHFFFAOYSA-N
Molecular Formula C10H22O
Exact Mass 158.167 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007314
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • decan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID7021946 EPA CompTox Dashboard
    LMFA05000062 LipidMaps
    WELDOK CCDC
    ZINC000001529247 ZINC
    N-DECYL ALCOHOL rxnorm
    J2.887H Nikkaji
    CB1224014 ChemicalBook
    28903 ChEBI
    C01633 KEGG Ligand
    DE1 PDBe
    CHEMBL25363 ChEMBL
    MTBLC28903 Metabolights
    3461 Brenda
    3959 Brenda
    32196 Brenda
    9228 Brenda
    HMDB0011624 Human Metabolome Database
    28903 Rhea
    MCULE-7579570663 Mcule
    8174 PubChem
    SCHEMBL21645 SureChEMBL
    10008918 NMRShiftDB
    89V4LX791F FDA SRS
    118374-94-0 ACToR
    321901-80-8 ACToR
    66455-17-2 ACToR
    14793924 PubChem: Thomson Pharma
    85566-12-7 ACToR
    112-30-1 ACToR
    67762-41-8 ACToR
    482707 eMolecules
    The data in this table is sourced from UniChem at EBI.