Dataset

UNDECANE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012159 contains the MS mass spectrum of UNDECANE with the InChIkey RSJKGSCJYJTIGS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
SMILES CCCCCCCCCCC
InChI Key RSJKGSCJYJTIGS-UHFFFAOYSA-N
Molecular Formula C11H24
Exact Mass 156.188 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-JP012159
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • undecane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    UNDECANE rxnorm
    MCULE-7319807036 Mcule
    QQQFBA CCDC
    LMFA11000591 LipidMaps
    ZINC000001693211 ZINC
    J1.759K Nikkaji
    DTXSID9021689 EPA CompTox Dashboard
    CHEMBL132474 ChEMBL
    UND PDBe
    46342 ChEBI
    SCHEMBL25023 SureChEMBL
    20031904 NMRShiftDB
    13362 Brenda
    CB1117114 ChemicalBook
    HMDB0031445 Human Metabolome Database
    14257 PubChem
    JV0QT00NUE FDA SRS
    15321692 PubChem: Thomson Pharma
    1120-21-4 ACToR
    61193-21-3 ACToR
    508532 eMolecules
    The data in this table is sourced from UniChem at EBI.