Dataset

Palmitoleic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003994 contains the MS2 mass spectrum of Palmitoleic acid with the InChIkey SECPZKHBENQXJG-FPLPWBNLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
SMILES C(C(C(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])[H])([H])([H])[H]
InChI Key SECPZKHBENQXJG-FPLPWBNLSA-N
Molecular Formula C16H30O2
Exact Mass 254.225 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-BS003994
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (Z)-hexadec-9-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04257 drugbank
    CHEBI:28716 chebi
    LMFA01030056 lipidmaps
    PAM rcsb_pdb
    CHEMBL453509 chembl
    33310 surechembl
    445638 pubchem
    209B6YPZ4I fdasrs
    PD019634 probes_and_drugs
    104114 brenda
    175474 brenda
    190309 brenda
    202565 brenda
    202739 brenda
    2281 brenda
    48914 brenda
    52810 brenda
    5594 brenda
    HMDB0003229 hmdb
    Molport-001-740-137 molport
    50269531 bindingdb
    The data in this table is sourced from UniChem at EBI.