Dataset

Palmitic acid (NMR); LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS001078 contains the MS mass spectrum of Palmitic acid (NMR) with the InChIkey IPCSVZSSVZVIGE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
SMILES OC(CCCCCCCCCCCCCCC)=O
InChI Key IPCSVZSSVZVIGE-UHFFFAOYSA-N
Molecular Formula C16H32O2
Exact Mass 256.240 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-BS001078
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • hexadecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03796 drugbank
    CHEBI:15756 chebi
    LMFA01010001 lipidmaps
    FAT rcsb_pdb
    PLM rcsb_pdb
    CHEMBL82293 chembl
    20549353 surechembl
    6177 surechembl
    135369651 pubchem
    985 pubchem
    2V16EO95H1 fdasrs
    1055 gtopdb
    PD007233 probes_and_drugs
    YEFWEM CCDC
    16189 brenda
    180140 brenda
    180141 brenda
    30151 brenda
    4529 brenda
    45639 brenda
    517 brenda
    535 brenda
    64992 brenda
    97710 brenda
    97712 brenda
    HMDB0000220 hmdb
    Molport-001-780-241 molport
    50152850 bindingdb
    The data in this table is sourced from UniChem at EBI.