Dataset

PENTADECANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008222 contains the MS mass spectrum of PENTADECANE with the InChIkey YCOZIPAWZNQLMR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
SMILES CCCCCCCCCCCCCCC
InChI Key YCOZIPAWZNQLMR-UHFFFAOYSA-N
Molecular Formula C15H32
Exact Mass 212.250 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-JP008222
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • pentadecane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12391 PubChem
    14797757 PubChem: Thomson Pharma
    629-62-9 ACToR
    60018694 NMRShiftDB
    16H6K2S8M2 FDA SRS
    508523 eMolecules
    MCULE-1292711626 Mcule
    SCHEMBL39231 SureChEMBL
    HMDB0059886 Human Metabolome Database
    9618 Brenda
    MTBLC28897 Metabolights
    28897 Rhea
    MYS PDBe
    28897 ChEBI
    CHEMBL1234557 ChEMBL
    C08388 KEGG Ligand
    DTXSID6027268 EPA CompTox Dashboard
    LMFA11000006 LipidMaps
    ZINC000001531089 ZINC
    J1.702G Nikkaji
    CB4217947 ChemicalBook
    The data in this table is sourced from UniChem at EBI.