Dataset

Tridecanoic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003882 contains the MS2 mass spectrum of Tridecanoic acid with the InChIkey SZHOJFHSIKHZHA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
SMILES C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key SZHOJFHSIKHZHA-UHFFFAOYSA-N
Molecular Formula C13H26O2
Exact Mass 214.193 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-BS-BS003882
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • tridecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02448 drugbank
    CHEBI:45919 chebi
    LMFA01010013 lipidmaps
    TDA rcsb_pdb
    CHEMBL107874 chembl
    22778 surechembl
    12530 pubchem
    19936LIY2V fdasrs
    PD007999 probes_and_drugs
    TRDECA CCDC
    137289 brenda
    30483 brenda
    HMDB0000910 hmdb
    51249423 bindingdb
    51249424 bindingdb
    51249450 bindingdb
    Molport-001-780-047 molport
    The data in this table is sourced from UniChem at EBI.