Dataset

TRIDECANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007687 contains the MS mass spectrum of TRIDECANE with the InChIkey IIYFAKIEWZDVMP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
SMILES CCCCCCCCCCCCC
InChI Key IIYFAKIEWZDVMP-UHFFFAOYSA-N
Molecular Formula C13H28
Exact Mass 184.219 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-JP007687
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • tridecane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3232426 ChemicalBook
    MTBLC35998 Metabolights
    HMDB0034284 Human Metabolome Database
    35998 ChEBI
    MCULE-7749861366 Mcule
    SCHEMBL33647 SureChEMBL
    30000181 NMRShiftDB
    12388 PubChem
    PD158427 ProbesDrugs
    14748419 PubChem: Thomson Pharma
    629-50-5 ACToR
    A3LZF0L939 FDA SRS
    497129 eMolecules
    C13834 KEGG Ligand
    TRIDECANE rxnorm
    HY-W088037 MedChemExpress
    DTXSID6027266 EPA CompTox Dashboard
    QQQFBD CCDC
    ZINC000001693738 ZINC
    J525H Nikkaji
    LMFA11000001 LipidMaps
    CHEMBL135694 ChEMBL
    TRD PDBe
    The data in this table is sourced from UniChem at EBI.