Dataset

Arachidonic acid; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003980 contains the MS mass spectrum of Arachidonic acid with the InChIkey YZXBAPSDXZZRGB-DOFZRALJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI Key YZXBAPSDXZZRGB-DOFZRALJSA-N
Molecular Formula C20H32O2
Exact Mass 304.240 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-BS003980
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04557 drugbank
    CHEBI:15843 chebi
    LMFA01030001 lipidmaps
    ACD rcsb_pdb
    CHEMBL15594 chembl
    16162 surechembl
    444899 pubchem
    27YG812J1I fdasrs
    180195 brenda
    190301 brenda
    265843 brenda
    266219 brenda
    290 brenda
    42609 brenda
    44101 brenda
    57898 brenda
    619 brenda
    9572 brenda
    9997 brenda
    HMDB0001043 hmdb
    Molport-003-666-529 molport
    22319 bindingdb
    The data in this table is sourced from UniChem at EBI.