Dataset

18:0-22:6 DG; ESI-TOF; MS2; CE: 0.6458333; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC02_000274 contains the MS2 mass spectrum of 18:0-22:6 DG with the InChIkey LBDXVTOFXXDOGH-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3
SMILES [H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChI Key LBDXVTOFXXDOGH-UHFFFAOYSA-N
Exact Mass 668.538 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC02_000274
Version
Author
Maintainer
Language
MetadataPublished 2023-03-06
Related Molecule
  • (1-hydroxy-3-octadecanoyloxypropan-2-yl) docosa-4,7,10,13,16,19-hexaenoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85034215 pubchem
    The data in this table is sourced from UniChem at EBI.