Dataset

Palmitic acid; LC-ESI-IT; MS2; m/z: 255.3; [M-H]-

This MassBank record with Accession MSBNK-Metabolon-MT000023 contains the MS2 mass spectrum of Palmitic acid 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 CCCCCCCCCCCCCCCC(O)=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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Metabolon-MT000023
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    PLM pdbe
    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
    DTXSID2021602 comptox
    FDB031084 foodb
    Molport-001-780-241 molport
    50152850 bindingdb
    The data in this table is sourced from UniChem at EBI.